cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C16H21NO2 — CID 93480734

IUPACcyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@@H]2CCN(C(=O)C3CCC3)C2)cc1
InChIInChI=1S/C16H21NO2/c1-19-15-7-5-12(6-8-15)14-9-10-17(11-14)16(18)13-3-2-4-13/h5-8,13-14H,2-4,9-11H2,1H3/t14-/m1/s1
InChIKeyUENADCRDSZTRAA-CQSZACIVSA-N
MW259.35 g/mol
LogP2.81
Rot. Bonds3

About cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 93480734) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID93480734
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namecyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@@H]2CCN(C(=O)C3CCC3)C2)cc1
InChIInChI=1S/C16H21NO2/c1-19-15-7-5-12(6-8-15)14-9-10-17(11-14)16(18)13-3-2-4-13/h5-8,13-14H,2-4,9-11H2,1H3/t14-/m1/s1
InChIKeyUENADCRDSZTRAA-CQSZACIVSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone 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

cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119313376
cyclobutyl-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone
CID 110673048
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119313382
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119766023
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 110913057

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 93480734) is cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc([C@@H]2CCN(C(=O)C3CCC3)C2)cc1.
What is the InChIKey of cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is UENADCRDSZTRAA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-15-7-5-12(6-8-15)14-9-10-17(11-14)16(18)13-3-2-4-13/h5-8,13-14H,2-4,9-11H2,1H3/t14-/m1/s1.
What are the key properties of cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 259.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 93480734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).