4-iminohex-2-enamide

C6H10N2O — CID 91171787

IUPAC4-iminohex-2-enamide
SMILES[H]/N=C(/C=CC(N)=O)CC
InChIInChI=1S/C6H10N2O/c1-2-5(7)3-4-6(8)9/h3-4,7H,2H2,1H3,(H2,8,9)/b4-3?,7-5+
InChIKeyNQSPLZZKDSITHI-LDPJEHJDSA-N
MW126.16 g/mol
LogP0.46
Rot. Bonds3

About 4-iminohex-2-enamide

4-iminohex-2-enamide (PubChem CID 91171787) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-iminohex-2-enamide.

Molecular Properties

Compound Name4-iminohex-2-enamide
PubChem CID91171787
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4-iminohex-2-enamide
SMILES[H]/N=C(/C=CC(N)=O)CC
InChIInChI=1S/C6H10N2O/c1-2-5(7)3-4-6(8)9/h3-4,7H,2H2,1H3,(H2,8,9)/b4-3?,7-5+
InChIKeyNQSPLZZKDSITHI-LDPJEHJDSA-N
XLogP0.46
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-iminohex-2-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 4-iminohex-2-enamide?
The IUPAC name of 4-iminohex-2-enamide (CID 91171787) is 4-iminohex-2-enamide.
What is the SMILES notation for 4-iminohex-2-enamide?
The canonical SMILES for 4-iminohex-2-enamide is [H]/N=C(/C=CC(N)=O)CC.
What is the InChIKey of 4-iminohex-2-enamide?
The InChIKey is NQSPLZZKDSITHI-LDPJEHJDSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-5(7)3-4-6(8)9/h3-4,7H,2H2,1H3,(H2,8,9)/b4-3?,7-5+.
What are the key properties of 4-iminohex-2-enamide?
4-iminohex-2-enamide has a molecular weight of 126.16 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminohex-2-enamide is sourced from PubChem (CID 91171787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).