(2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide

C6H7N3O2 — CID 55264774

IUPAC(2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide
SMILESC=CCNC(=O)/C(C#N)=N/O
InChIInChI=1S/C6H7N3O2/c1-2-3-8-6(10)5(4-7)9-11/h2,11H,1,3H2,(H,8,10)/b9-5+
InChIKeyPLAWBKMJUZRWAL-WEVVVXLNSA-N
MW153.14 g/mol
LogP-0.36
Rot. Bonds3

About (2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide

(2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide (PubChem CID 55264774) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is (2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide.

Molecular Properties

Compound Name(2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide
PubChem CID55264774
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name(2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide
SMILESC=CCNC(=O)/C(C#N)=N/O
InChIInChI=1S/C6H7N3O2/c1-2-3-8-6(10)5(4-7)9-11/h2,11H,1,3H2,(H,8,10)/b9-5+
InChIKeyPLAWBKMJUZRWAL-WEVVVXLNSA-N
XLogP-0.36
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide?
The IUPAC name of (2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide (CID 55264774) is (2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide.
What is the SMILES notation for (2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide?
The canonical SMILES for (2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide is C=CCNC(=O)/C(C#N)=N/O.
What is the InChIKey of (2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide?
The InChIKey is PLAWBKMJUZRWAL-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-2-3-8-6(10)5(4-7)9-11/h2,11H,1,3H2,(H,8,10)/b9-5+.
What are the key properties of (2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide?
(2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide has a molecular weight of 153.14 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyano-2-hydroxyimino-N-prop-2-enylacetamide is sourced from PubChem (CID 55264774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).