2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone

C16H21ClN2O — CID 97161070

IUPAC2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
SMILESNC1(CC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CCC1
InChIInChI=1S/C16H21ClN2O/c17-13-5-1-4-12(10-13)14-6-2-9-19(14)15(20)11-16(18)7-3-8-16/h1,4-5,10,14H,2-3,6-9,11,18H2/t14-/m1/s1
InChIKeyJINULFWTEAOPPW-CQSZACIVSA-N
MW292.81 g/mol
LogP3.28
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone

2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone (PubChem CID 97161070) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
PubChem CID97161070
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
SMILESNC1(CC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CCC1
InChIInChI=1S/C16H21ClN2O/c17-13-5-1-4-12(10-13)14-6-2-9-19(14)15(20)11-16(18)7-3-8-16/h1,4-5,10,14H,2-3,6-9,11,18H2/t14-/m1/s1
InChIKeyJINULFWTEAOPPW-CQSZACIVSA-N
XLogP3.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclopropyl]-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 115452869
2-(1-aminocyclobutyl)-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 75495963
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611255
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-pyrimidin-5-ylethanone
CID 166212254
2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950016
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936713
2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 79853993
3-amino-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 60947054
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872576
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 60946946
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 166240610

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone (CID 97161070) is 2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone is NC1(CC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is JINULFWTEAOPPW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21ClN2O/c17-13-5-1-4-12(10-13)14-6-2-9-19(14)15(20)11-16(18)7-3-8-16/h1,4-5,10,14H,2-3,6-9,11,18H2/t14-/m1/s1.
What are the key properties of 2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone?
2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 292.81 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 97161070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).