(5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one

C11H15NO — CID 130369909

IUPAC(5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one
SMILES[H]/N=C/C(=O)CCC(/C=C\C=C)=C/C
InChIInChI=1S/C11H15NO/c1-3-5-6-10(4-2)7-8-11(13)9-12/h3-6,9,12H,1,7-8H2,2H3/b6-5-,10-4+,12-9+
InChIKeyYZLMBZUFNWRCCK-VRTLXNQISA-N
MW177.25 g/mol
LogP2.67
Rot. Bonds6

About (5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one

(5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one (PubChem CID 130369909) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one.

Molecular Properties

Compound Name(5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one
PubChem CID130369909
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one
SMILES[H]/N=C/C(=O)CCC(/C=C\C=C)=C/C
InChIInChI=1S/C11H15NO/c1-3-5-6-10(4-2)7-8-11(13)9-12/h3-6,9,12H,1,7-8H2,2H3/b6-5-,10-4+,12-9+
InChIKeyYZLMBZUFNWRCCK-VRTLXNQISA-N
XLogP2.67
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z,6Z)-5-ethylidene-1-iminonona-6,8-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 (5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one?
The IUPAC name of (5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one (CID 130369909) is (5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one.
What is the SMILES notation for (5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one?
The canonical SMILES for (5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one is [H]/N=C/C(=O)CCC(/C=C\C=C)=C/C.
What is the InChIKey of (5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one?
The InChIKey is YZLMBZUFNWRCCK-VRTLXNQISA-N. The full InChI is InChI=1S/C11H15NO/c1-3-5-6-10(4-2)7-8-11(13)9-12/h3-6,9,12H,1,7-8H2,2H3/b6-5-,10-4+,12-9+.
What are the key properties of (5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one?
(5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one is sourced from PubChem (CID 130369909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).