(5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one

C13H19NO — CID 126710965

IUPAC(5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one
SMILESC/C=C\C(\C=C\CCC(C)=O)=C/N=C/C
InChIInChI=1S/C13H19NO/c1-4-8-13(11-14-5-2)10-7-6-9-12(3)15/h4-5,7-8,10-11H,6,9H2,1-3H3/b8-4-,10-7+,13-11+,14-5+
InChIKeyGMWKLBBUWIWCPX-SDGZTTIXSA-N
MW205.30 g/mol
LogP3.46
Rot. Bonds6

About (5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one

(5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one (PubChem CID 126710965) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one.

Molecular Properties

Compound Name(5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one
PubChem CID126710965
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one
SMILESC/C=C\C(\C=C\CCC(C)=O)=C/N=C/C
InChIInChI=1S/C13H19NO/c1-4-8-13(11-14-5-2)10-7-6-9-12(3)15/h4-5,7-8,10-11H,6,9H2,1-3H3/b8-4-,10-7+,13-11+,14-5+
InChIKeyGMWKLBBUWIWCPX-SDGZTTIXSA-N
XLogP3.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-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 (5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one?
The IUPAC name of (5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one (CID 126710965) is (5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one.
What is the SMILES notation for (5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one?
The canonical SMILES for (5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one is C/C=C\C(\C=C\CCC(C)=O)=C/N=C/C.
What is the InChIKey of (5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one?
The InChIKey is GMWKLBBUWIWCPX-SDGZTTIXSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-8-13(11-14-5-2)10-7-6-9-12(3)15/h4-5,7-8,10-11H,6,9H2,1-3H3/b8-4-,10-7+,13-11+,14-5+.
What are the key properties of (5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one?
(5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one has a molecular weight of 205.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,8Z)-7-[(ethylideneamino)methylidene]deca-5,8-dien-2-one is sourced from PubChem (CID 126710965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).