T2Y

N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide

Created:	2020-03-16
Last modified:	2024-09-27

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1 entries where T2Y is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of T2Y

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Chemical Component Summary
Name	N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-(1,3-benzodioxol-5-ylmethyl)ethanamide
Formula	C₁₀ H₁₁ N O₃
Molecular Weight	193.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2cc1c(OCO1)cc2CNC(C)=O
SMILES	CACTVS	3.385	CC(=O)NCc1ccc2OCOc2c1
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NCc1ccc2c(c1)OCO2
Canonical SMILES	CACTVS	3.385	CC(=O)NCc1ccc2OCOc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NCc1ccc2c(c1)OCO2
InChI	InChI	1.03	InChI=1S/C10H11NO3/c1-7(12)11-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3,(H,11,12)
InChIKey	InChI	1.03	YFWYIWVJRPDXQD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	290549

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