1-(1-phenylpentan-2-yl)pyrrolidin-2-one

C15H21NO — CID 3082421

IUPAC1-(1-phenylpentan-2-yl)pyrrolidin-2-one
SMILESCCCC(Cc1ccccc1)N1CCCC1=O
InChIInChI=1S/C15H21NO/c1-2-7-14(16-11-6-10-15(16)17)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChIKeyANRHNWFWBMIJAO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.02
Rot. Bonds5

About 1-(1-phenylpentan-2-yl)pyrrolidin-2-one

1-(1-phenylpentan-2-yl)pyrrolidin-2-one (PubChem CID 3082421) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1-phenylpentan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-phenylpentan-2-yl)pyrrolidin-2-one
PubChem CID3082421
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(1-phenylpentan-2-yl)pyrrolidin-2-one
SMILESCCCC(Cc1ccccc1)N1CCCC1=O
InChIInChI=1S/C15H21NO/c1-2-7-14(16-11-6-10-15(16)17)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChIKeyANRHNWFWBMIJAO-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpentan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1-phenylpentan-2-yl)pyrrolidin-2-one (CID 3082421) is 1-(1-phenylpentan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-phenylpentan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-phenylpentan-2-yl)pyrrolidin-2-one is CCCC(Cc1ccccc1)N1CCCC1=O.
What is the InChIKey of 1-(1-phenylpentan-2-yl)pyrrolidin-2-one?
The InChIKey is ANRHNWFWBMIJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-7-14(16-11-6-10-15(16)17)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3.
What are the key properties of 1-(1-phenylpentan-2-yl)pyrrolidin-2-one?
1-(1-phenylpentan-2-yl)pyrrolidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpentan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 3082421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).