4-(1-phenylethyl)-1-propylpyrrolidin-2-one

C15H21NO — CID 123830048

IUPAC4-(1-phenylethyl)-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(C)c2ccccc2)CC1=O
InChIInChI=1S/C15H21NO/c1-3-9-16-11-14(10-15(16)17)12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyJHIUQROZHWKHAP-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.05
Rot. Bonds4

About 4-(1-phenylethyl)-1-propylpyrrolidin-2-one

4-(1-phenylethyl)-1-propylpyrrolidin-2-one (PubChem CID 123830048) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(1-phenylethyl)-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-phenylethyl)-1-propylpyrrolidin-2-one
PubChem CID123830048
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(1-phenylethyl)-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(C)c2ccccc2)CC1=O
InChIInChI=1S/C15H21NO/c1-3-9-16-11-14(10-15(16)17)12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyJHIUQROZHWKHAP-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)-1-propylpyrrolidin-2-one?
The IUPAC name of 4-(1-phenylethyl)-1-propylpyrrolidin-2-one (CID 123830048) is 4-(1-phenylethyl)-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-(1-phenylethyl)-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-(1-phenylethyl)-1-propylpyrrolidin-2-one is CCCN1CC(C(C)c2ccccc2)CC1=O.
What is the InChIKey of 4-(1-phenylethyl)-1-propylpyrrolidin-2-one?
The InChIKey is JHIUQROZHWKHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-9-16-11-14(10-15(16)17)12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3.
What are the key properties of 4-(1-phenylethyl)-1-propylpyrrolidin-2-one?
4-(1-phenylethyl)-1-propylpyrrolidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)-1-propylpyrrolidin-2-one is sourced from PubChem (CID 123830048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).