(5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one

C23H33NO — CID 138480997

IUPAC(5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one
SMILES[H]/N=C/C(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C23H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24/h3-4,6-7,9-10,12-13,15-16,18-19,22,24H,2,5,8,11,14,17,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-,24-22+
InChIKeyDWEBKTNXBKLBLY-QDVLRYEOSA-N
MW339.52 g/mol
LogP6.68
Rot. Bonds15

About (5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one

(5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one (PubChem CID 138480997) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one
PubChem CID138480997
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name(5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one
SMILES[H]/N=C/C(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C23H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24/h3-4,6-7,9-10,12-13,15-16,18-19,22,24H,2,5,8,11,14,17,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-,24-22+
InChIKeyDWEBKTNXBKLBLY-QDVLRYEOSA-N
XLogP6.68
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-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,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one (CID 138480997) is (5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one is [H]/N=C/C(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one?
The InChIKey is DWEBKTNXBKLBLY-QDVLRYEOSA-N. The full InChI is InChI=1S/C23H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24/h3-4,6-7,9-10,12-13,15-16,18-19,22,24H,2,5,8,11,14,17,20-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-,24-22+.
What are the key properties of (5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one?
(5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one has a molecular weight of 339.52 g/mol, XLogP of 6.68, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,17Z,20Z)-1-iminotricosa-5,8,11,14,17,20-hexaen-2-one is sourced from PubChem (CID 138480997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).