(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one

C26H47NO — CID 91705104

IUPAC(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one
SMILESCCCCCCCC/C=C\CCCC/C=C\CCCCCC(=O)N1CCCC1
InChIInChI=1S/C26H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h9-10,15-16H,2-8,11-14,17-25H2,1H3/b10-9-,16-15-
InChIKeyYAENYTBWNOXGED-GJWNNSPJSA-N
MW389.67 g/mol
LogP7.98
Rot. Bonds18

About (7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one

(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one (PubChem CID 91705104) has the molecular formula C26H47NO and a molecular weight of 389.67 g/mol. Its IUPAC name is (7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one.

Molecular Properties

Compound Name(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one
PubChem CID91705104
Molecular FormulaC26H47NO
Molecular Weight389.67 g/mol
Exact Mass389.37
IUPAC Name(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one
SMILESCCCCCCCC/C=C\CCCC/C=C\CCCCCC(=O)N1CCCC1
InChIInChI=1S/C26H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h9-10,15-16H,2-8,11-14,17-25H2,1H3/b10-9-,16-15-
InChIKeyYAENYTBWNOXGED-GJWNNSPJSA-N
XLogP7.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 57.98
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 (7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-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

Related Compounds

1-pyrrolidin-1-yloctadec-6-en-1-one
CID 574885
(8Z,12Z)-1-pyrrolidin-1-yloctadeca-8,12-dien-1-one
CID 91705036
(7Z,13Z,16Z)-1-pyrrolidin-1-yldocosa-7,13,16-trien-1-one
CID 91705178
(5Z,9Z,17Z)-1-pyrrolidin-1-ylhexacosa-5,9,17-trien-1-one
CID 91705242
1-pyrrolidin-1-ylhexadec-4-en-1-one
CID 163192567
1-(4-octadec-9-enoylpiperazin-1-yl)octadec-9-en-1-one
CID 54491403
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
(E)-1-(azocan-1-yl)dec-3-en-1-one
CID 71738791
(E)-1-(4,4-dimethylpiperazin-4-ium-1-yl)octadec-9-en-1-one
CID 5475226
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
(E)-1-pyrrolidin-1-ylhexacos-19-en-17-yn-1-one
CID 91695427
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164

Frequently Asked Questions

What is the IUPAC name of (7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one?
The IUPAC name of (7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one (CID 91705104) is (7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one.
What is the SMILES notation for (7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one?
The canonical SMILES for (7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one is CCCCCCCC/C=C\CCCC/C=C\CCCCCC(=O)N1CCCC1.
What is the InChIKey of (7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one?
The InChIKey is YAENYTBWNOXGED-GJWNNSPJSA-N. The full InChI is InChI=1S/C26H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(28)27-24-21-22-25-27/h9-10,15-16H,2-8,11-14,17-25H2,1H3/b10-9-,16-15-.
What are the key properties of (7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one?
(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one has a molecular weight of 389.67 g/mol, XLogP of 7.98, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one is sourced from PubChem (CID 91705104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).