1-(4-heptanoylphenyl)pyrrolidin-2-one

C17H23NO2 — CID 114752117

IUPAC1-(4-heptanoylphenyl)pyrrolidin-2-one
SMILESCCCCCCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H23NO2/c1-2-3-4-5-7-16(19)14-9-11-15(12-10-14)18-13-6-8-17(18)20/h9-12H,2-8,13H2,1H3
InChIKeyMBGYDDHGEBIUEE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.97
Rot. Bonds7

About 1-(4-heptanoylphenyl)pyrrolidin-2-one

1-(4-heptanoylphenyl)pyrrolidin-2-one (PubChem CID 114752117) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-heptanoylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-heptanoylphenyl)pyrrolidin-2-one
PubChem CID114752117
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(4-heptanoylphenyl)pyrrolidin-2-one
SMILESCCCCCCC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H23NO2/c1-2-3-4-5-7-16(19)14-9-11-15(12-10-14)18-13-6-8-17(18)20/h9-12H,2-8,13H2,1H3
InChIKeyMBGYDDHGEBIUEE-UHFFFAOYSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one
CID 43161134
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8650952
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[(E)-3-(4-pentoxyphenyl)prop-2-enoyl]phenyl]pyrrolidin-2-one
CID 7638070
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7560939
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
1-(4-tert-butylphenyl)dodecan-1-one
CID 146005513
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128794
N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2249244

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptanoylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-heptanoylphenyl)pyrrolidin-2-one (CID 114752117) is 1-(4-heptanoylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-heptanoylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-heptanoylphenyl)pyrrolidin-2-one is CCCCCCC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-(4-heptanoylphenyl)pyrrolidin-2-one?
The InChIKey is MBGYDDHGEBIUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-3-4-5-7-16(19)14-9-11-15(12-10-14)18-13-6-8-17(18)20/h9-12H,2-8,13H2,1H3.
What are the key properties of 1-(4-heptanoylphenyl)pyrrolidin-2-one?
1-(4-heptanoylphenyl)pyrrolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptanoylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 114752117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).