KIK
(4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one
Created: | 2016-08-23 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 17 |
Chiral Atom Count | 1 |
Bond Count | 16 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one |
Systematic Name (OpenEye OEToolkits) | (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one |
Formula | C5 H9 N O2 |
Molecular Weight | 115.13 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | N[CH](CO)C(=O)C=C |
SMILES | OpenEye OEToolkits | 2.0.5 | C=CC(=O)C(CO)N |
Canonical SMILES | CACTVS | 3.385 | N[C@@H](CO)C(=O)C=C |
Canonical SMILES | OpenEye OEToolkits | 2.0.5 | C=CC(=O)[C@H](CO)N |
InChI | InChI | 1.03 | InChI=1S/C5H9NO2/c1-2-5(8)4(6)3-7/h2,4,7H,1,3,6H2/t4-/m0/s1 |
InChIKey | InChI | 1.03 | UCJPATVGPSMUQX-BYPYZUCNSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137349649 |