1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one

C19H33NO2 — CID 91012210

IUPAC1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
SMILESCCCCC=CCN1C(=O)CCC1/C=C/C(O)CCCCC
InChIInChI=1S/C19H33NO2/c1-3-5-7-8-10-16-20-17(13-15-19(20)22)12-14-18(21)11-9-6-4-2/h8,10,12,14,17-18,21H,3-7,9,11,13,15-16H2,1-2H3/b10-8?,14-12+
InChIKeyBKGHJZNSIIEUDB-ZMIWSCJLSA-N
MW307.48 g/mol
LogP4.22
Rot. Bonds11

About 1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one

1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one (PubChem CID 91012210) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
PubChem CID91012210
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one
SMILESCCCCC=CCN1C(=O)CCC1/C=C/C(O)CCCCC
InChIInChI=1S/C19H33NO2/c1-3-5-7-8-10-16-20-17(13-15-19(20)22)12-14-18(21)11-9-6-4-2/h8,10,12,14,17-18,21H,3-7,9,11,13,15-16H2,1-2H3/b10-8?,14-12+
InChIKeyBKGHJZNSIIEUDB-ZMIWSCJLSA-N
XLogP4.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-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

Related Compounds

8-aza-11-deoxyprostaglandin E1
CID 44289922
7-[(5R)-3,3-difluoro-5-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxopyrrolidin-1-yl]heptanoic acid
CID 72950089
(E)-7-[(1R,2S,3R)-3-Hydroxy-2-((E)-(S)-3-hydroxy-oct-1-enyl)-5-oxo-pyrrolidin-1-yl]-hept-5-enoic acid
CID 44290266
7-[(R)-2-((E)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 13230981
7-[(S)-2-((E)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44269542
7-[(R)-2-((E)-(R)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44289980
11-Deoxy-8-azaprostaglandin E(1)
CID 6453527
7-[(S)-2-((E)-(S)-3-Hydroxy-oct-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44290245
7-[2-[(E)-4,4-difluoro-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
CID 13025449
5-[(E)-4,4-difluoro-3-hydroxy-3-methyloct-1-enyl]-1-(2,7-dihydroxyheptyl)pyrrolidin-2-one
CID 20455164
7-[2-(3-Hydroxy-3-methyl-4,4-difluoro-1-octen-1-yl)-5-oxopyrrolidin-1-yl]-1,6-heptanediol
CID 54337876
methyl 7-[(5R)-3,3-difluoro-5-[(E)-3-hydroxyoct-1-enyl]-2-oxopyrrolidin-1-yl]heptanoate
CID 72950086

Frequently Asked Questions

What is the IUPAC name of 1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The IUPAC name of 1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one (CID 91012210) is 1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for 1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The canonical SMILES for 1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one is CCCCC=CCN1C(=O)CCC1/C=C/C(O)CCCCC.
What is the InChIKey of 1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
The InChIKey is BKGHJZNSIIEUDB-ZMIWSCJLSA-N. The full InChI is InChI=1S/C19H33NO2/c1-3-5-7-8-10-16-20-17(13-15-19(20)22)12-14-18(21)11-9-6-4-2/h8,10,12,14,17-18,21H,3-7,9,11,13,15-16H2,1-2H3/b10-8?,14-12+.
What are the key properties of 1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one?
1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one has a molecular weight of 307.48 g/mol, XLogP of 4.22, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-2-enyl-5-[(E)-3-hydroxyoct-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 91012210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).