(5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one

C24H37NO — CID 91705061

IUPAC(5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCCC1
InChIInChI=1S/C24H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23-25/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyBQBRHERXDMIRCX-JLNKQSITSA-N
MW355.57 g/mol
LogP6.53
Rot. Bonds13

About (5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one

(5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one (PubChem CID 91705061) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one
PubChem CID91705061
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCCC1
InChIInChI=1S/C24H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23-25/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyBQBRHERXDMIRCX-JLNKQSITSA-N
XLogP6.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-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)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one (CID 91705061) is (5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCCC1.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one?
The InChIKey is BQBRHERXDMIRCX-JLNKQSITSA-N. The full InChI is InChI=1S/C24H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23-25/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one?
(5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one has a molecular weight of 355.57 g/mol, XLogP of 6.53, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,17Z)-1-pyrrolidin-1-ylicosa-5,8,11,14,17-pentaen-1-one is sourced from PubChem (CID 91705061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).