(Z)-2-imino-N-methylhex-3-enamide

C7H12N2O — CID 166884961

IUPAC(Z)-2-imino-N-methylhex-3-enamide
SMILES[H]/N=C(\C=C/CC)C(=O)NC
InChIInChI=1S/C7H12N2O/c1-3-4-5-6(8)7(10)9-2/h4-5,8H,3H2,1-2H3,(H,9,10)/b5-4-,8-6+
InChIKeyDJQMCWOWUJJNNA-GSGSLZOQSA-N
MW140.19 g/mol
LogP0.72
Rot. Bonds3

About (Z)-2-imino-N-methylhex-3-enamide

(Z)-2-imino-N-methylhex-3-enamide (PubChem CID 166884961) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (Z)-2-imino-N-methylhex-3-enamide.

Molecular Properties

Compound Name(Z)-2-imino-N-methylhex-3-enamide
PubChem CID166884961
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(Z)-2-imino-N-methylhex-3-enamide
SMILES[H]/N=C(\C=C/CC)C(=O)NC
InChIInChI=1S/C7H12N2O/c1-3-4-5-6(8)7(10)9-2/h4-5,8H,3H2,1-2H3,(H,9,10)/b5-4-,8-6+
InChIKeyDJQMCWOWUJJNNA-GSGSLZOQSA-N
XLogP0.72
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-2-imino-N-methylhex-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-imino-N-methylhex-3-enamide?
The IUPAC name of (Z)-2-imino-N-methylhex-3-enamide (CID 166884961) is (Z)-2-imino-N-methylhex-3-enamide.
What is the SMILES notation for (Z)-2-imino-N-methylhex-3-enamide?
The canonical SMILES for (Z)-2-imino-N-methylhex-3-enamide is [H]/N=C(\C=C/CC)C(=O)NC.
What is the InChIKey of (Z)-2-imino-N-methylhex-3-enamide?
The InChIKey is DJQMCWOWUJJNNA-GSGSLZOQSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-4-5-6(8)7(10)9-2/h4-5,8H,3H2,1-2H3,(H,9,10)/b5-4-,8-6+.
What are the key properties of (Z)-2-imino-N-methylhex-3-enamide?
(Z)-2-imino-N-methylhex-3-enamide has a molecular weight of 140.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-imino-N-methylhex-3-enamide is sourced from PubChem (CID 166884961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).