3-(4-butylphenyl)pyrrolidin-2-one

C14H19NO — CID 82127210

IUPAC3-(4-butylphenyl)pyrrolidin-2-one
SMILESCCCCc1ccc(C2CCNC2=O)cc1
InChIInChI=1S/C14H19NO/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-15-14(13)16/h5-8,13H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyDPPDVFMMNFQLGJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.63
Rot. Bonds4

About 3-(4-butylphenyl)pyrrolidin-2-one

3-(4-butylphenyl)pyrrolidin-2-one (PubChem CID 82127210) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-(4-butylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-butylphenyl)pyrrolidin-2-one
PubChem CID82127210
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-(4-butylphenyl)pyrrolidin-2-one
SMILESCCCCc1ccc(C2CCNC2=O)cc1
InChIInChI=1S/C14H19NO/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-15-14(13)16/h5-8,13H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyDPPDVFMMNFQLGJ-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-butylphenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethylphenyl)pyrrolidin-2-one
CID 82125500
2-(4-butylphenyl)azetidine
CID 55273387
5-methyl-2-(4-pentylphenyl)cyclohexan-1-one
CID 23041298
3,6-bis(4-butylphenyl)-1,2,4,5-tetraoxane
CID 44573810
4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 54765874
3-(4-butylphenyl)-5-phenyloxolan-2-one
CID 67810185
CID 57493424
CID 57493424
trans-(2R,5S)-5-ethyl-2-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one
CID 70371296
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
[(3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methanol
CID 147473503
5-butyl-2-(4-propylphenyl)cyclohexan-1-one
CID 23041151
(3R)-3-[2-(4-octylphenyl)-2-oxoethyl]piperidin-2-one
CID 160867179

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(4-butylphenyl)pyrrolidin-2-one (CID 82127210) is 3-(4-butylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-butylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-butylphenyl)pyrrolidin-2-one is CCCCc1ccc(C2CCNC2=O)cc1.
What is the InChIKey of 3-(4-butylphenyl)pyrrolidin-2-one?
The InChIKey is DPPDVFMMNFQLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-15-14(13)16/h5-8,13H,2-4,9-10H2,1H3,(H,15,16).
What are the key properties of 3-(4-butylphenyl)pyrrolidin-2-one?
3-(4-butylphenyl)pyrrolidin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82127210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).