4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one

C18H25NO2 — CID 3071503

IUPAC4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one
SMILESCCCC(CCC)C(=O)N1CC(c2ccccc2)CC1=O
InChIInChI=1S/C18H25NO2/c1-3-8-15(9-4-2)18(21)19-13-16(12-17(19)20)14-10-6-5-7-11-14/h5-7,10-11,15-16H,3-4,8-9,12-13H2,1-2H3
InChIKeyXJCMFNRCIUXOBH-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.75
Rot. Bonds6

About 4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one

4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one (PubChem CID 3071503) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one
PubChem CID3071503
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one
SMILESCCCC(CCC)C(=O)N1CC(c2ccccc2)CC1=O
InChIInChI=1S/C18H25NO2/c1-3-8-15(9-4-2)18(21)19-13-16(12-17(19)20)14-10-6-5-7-11-14/h5-7,10-11,15-16H,3-4,8-9,12-13H2,1-2H3
InChIKeyXJCMFNRCIUXOBH-UHFFFAOYSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one?
The IUPAC name of 4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one (CID 3071503) is 4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one.
What is the SMILES notation for 4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one?
The canonical SMILES for 4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one is CCCC(CCC)C(=O)N1CC(c2ccccc2)CC1=O.
What is the InChIKey of 4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one?
The InChIKey is XJCMFNRCIUXOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-8-15(9-4-2)18(21)19-13-16(12-17(19)20)14-10-6-5-7-11-14/h5-7,10-11,15-16H,3-4,8-9,12-13H2,1-2H3.
What are the key properties of 4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one?
4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one has a molecular weight of 287.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(2-propylpentanoyl)pyrrolidin-2-one is sourced from PubChem (CID 3071503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).