4-(4-cyclopropylphenyl)pyrrolidin-2-one

C13H15NO — CID 79978170

IUPAC4-(4-cyclopropylphenyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc(C3CC3)cc2)CN1
InChIInChI=1S/C13H15NO/c15-13-7-12(8-14-13)11-5-3-10(4-6-11)9-1-2-9/h3-6,9,12H,1-2,7-8H2,(H,14,15)
InChIKeyPAKBXSFVTJHACP-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.17
Rot. Bonds2

About 4-(4-cyclopropylphenyl)pyrrolidin-2-one

4-(4-cyclopropylphenyl)pyrrolidin-2-one (PubChem CID 79978170) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(4-cyclopropylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-cyclopropylphenyl)pyrrolidin-2-one
PubChem CID79978170
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4-(4-cyclopropylphenyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccc(C3CC3)cc2)CN1
InChIInChI=1S/C13H15NO/c15-13-7-12(8-14-13)11-5-3-10(4-6-11)9-1-2-9/h3-6,9,12H,1-2,7-8H2,(H,14,15)
InChIKeyPAKBXSFVTJHACP-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenylpyrrolidin-2-one;hydrate
CID 171699854
(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71742226
4-(5-oxopyrrolidin-3-yl)benzoic acid
CID 82609571
4-(4-acetylphenyl)pyrrolidin-2-one
CID 53417765
(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid
CID 142352390
N-cyclohexyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 3934633
N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 714404
(4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate
CID 142352445
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800
4-(4-amino-3-methylphenyl)pyrrolidin-2-one
CID 53417806
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608
[3-(5-oxopyrrolidin-3-yl)phenyl]azanium
CID 140682404

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-cyclopropylphenyl)pyrrolidin-2-one (CID 79978170) is 4-(4-cyclopropylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-cyclopropylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-cyclopropylphenyl)pyrrolidin-2-one is O=C1CC(c2ccc(C3CC3)cc2)CN1.
What is the InChIKey of 4-(4-cyclopropylphenyl)pyrrolidin-2-one?
The InChIKey is PAKBXSFVTJHACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-7-12(8-14-13)11-5-3-10(4-6-11)9-1-2-9/h3-6,9,12H,1-2,7-8H2,(H,14,15).
What are the key properties of 4-(4-cyclopropylphenyl)pyrrolidin-2-one?
4-(4-cyclopropylphenyl)pyrrolidin-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 79978170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).