(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one

C7H10N2O — CID 122436508

IUPAC(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one
SMILES[H]/N=N/C(=C\C=C/C)C(C)=O
InChIInChI=1S/C7H10N2O/c1-3-4-5-7(9-8)6(2)10/h3-5,8H,1-2H3/b4-3-,7-5-,9-8+
InChIKeyNHVGPBHRKRBCPE-LMHCHECESA-N
MW138.17 g/mol
LogP2.07
Rot. Bonds3

About (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one

(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one (PubChem CID 122436508) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one.

Molecular Properties

Compound Name(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one
PubChem CID122436508
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one
SMILES[H]/N=N/C(=C\C=C/C)C(C)=O
InChIInChI=1S/C7H10N2O/c1-3-4-5-7(9-8)6(2)10/h3-5,8H,1-2H3/b4-3-,7-5-,9-8+
InChIKeyNHVGPBHRKRBCPE-LMHCHECESA-N
XLogP2.07
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one 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 (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one?
The IUPAC name of (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one (CID 122436508) is (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one.
What is the SMILES notation for (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one?
The canonical SMILES for (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one is [H]/N=N/C(=C\C=C/C)C(C)=O.
What is the InChIKey of (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one?
The InChIKey is NHVGPBHRKRBCPE-LMHCHECESA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-4-5-7(9-8)6(2)10/h3-5,8H,1-2H3/b4-3-,7-5-,9-8+.
What are the key properties of (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one?
(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one has a molecular weight of 138.17 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one is sourced from PubChem (CID 122436508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).