cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C16H21NO2 — CID 42919736

IUPACcyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)C2CCC2)cc1
InChIInChI=1S/C16H21NO2/c1-19-14-9-7-12(8-10-14)15-6-3-11-17(15)16(18)13-4-2-5-13/h7-10,13,15H,2-6,11H2,1H3
InChIKeyJHIUEXADJBIUBI-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.16
Rot. Bonds3

About cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 42919736) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID42919736
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namecyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)C2CCC2)cc1
InChIInChI=1S/C16H21NO2/c1-19-14-9-7-12(8-10-14)15-6-3-11-17(15)16(18)13-4-2-5-13/h7-10,13,15H,2-6,11H2,1H3
InChIKeyJHIUEXADJBIUBI-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119687293
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 119695947
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 42919745
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 56811909
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 41293701
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51930904
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 26699022
(2R)-2-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270091

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 42919736) is cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C2CCCN2C(=O)C2CCC2)cc1.
What is the InChIKey of cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is JHIUEXADJBIUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-14-9-7-12(8-10-14)15-6-3-11-17(15)16(18)13-4-2-5-13/h7-10,13,15H,2-6,11H2,1H3.
What are the key properties of cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 259.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42919736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).