3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one

C14H19NO2 — CID 82129058

IUPAC3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C(C)C)cc1C1CCNC1=O
InChIInChI=1S/C14H19NO2/c1-9(2)10-4-5-13(17-3)12(8-10)11-6-7-15-14(11)16/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,16)
InChIKeyBZWAOEHAKXUYIW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.42
Rot. Bonds3

About 3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one

3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 82129058) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one
PubChem CID82129058
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C(C)C)cc1C1CCNC1=O
InChIInChI=1S/C14H19NO2/c1-9(2)10-4-5-13(17-3)12(8-10)11-6-7-15-14(11)16/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,16)
InChIKeyBZWAOEHAKXUYIW-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methoxy-5-propan-2-ylphenyl)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-(5-bromo-2-methoxyphenyl)pyrrolidin-2-one
CID 82134395
3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one
CID 82129055
3-(2-methoxy-4-propan-2-ylphenyl)piperazin-2-one
CID 82296453
3-(2-methoxy-5-propan-2-ylphenyl)azetidine
CID 82283096
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
2-cyclopropyl-4-(difluoromethyl)-1-methoxybenzene
CID 151172035
1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 5108927
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515
3-(2-methylphenyl)pyrrolidin-2-one
CID 71758474
(4S)-4-(2-methoxyphenyl)-5-phenyl-1,2,3,4-tetrahydroazepin-7-one
CID 124565893
(3S,6R)-3-(2-methoxy-5-propan-2-ylphenyl)-7-phenyl-1,8-diazaspiro[5.5]undecane
CID 57118606

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one (CID 82129058) is 3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one is COc1ccc(C(C)C)cc1C1CCNC1=O.
What is the InChIKey of 3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is BZWAOEHAKXUYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)10-4-5-13(17-3)12(8-10)11-6-7-15-14(11)16/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one?
3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-propan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82129058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).