2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone

C12H15ClN2O — CID 83541941

IUPAC2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClN2O/c13-11-3-1-9(2-4-11)10-5-6-15(8-10)12(16)7-14/h1-4,10H,5-8,14H2
InChIKeyHVWKPECDGLNQRZ-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.61
Rot. Bonds2

About 2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone

2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone (PubChem CID 83541941) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
PubChem CID83541941
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClN2O/c13-11-3-1-9(2-4-11)10-5-6-15(8-10)12(16)7-14/h1-4,10H,5-8,14H2
InChIKeyHVWKPECDGLNQRZ-UHFFFAOYSA-N
XLogP1.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
[4-(aminomethyl)piperidin-1-yl]-[3-(4-chlorophenyl)azetidin-1-yl]methanone
CID 20744184
1-[3-(4-chlorophenyl)azepan-1-yl]-2-cyclohexylethanone
CID 121146455
1-[3-(4-chlorophenyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 118779777
2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid
CID 131892982
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 118765182
3-(4-chlorophenyl)azetidine-1-carboxamide
CID 20744165
1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one
CID 72921513
[3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 75497061
2-amino-1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 119314824
(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide
CID 126433474

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone (CID 83541941) is 2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone is NCC(=O)N1CCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is HVWKPECDGLNQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-11-3-1-9(2-4-11)10-5-6-15(8-10)12(16)7-14/h1-4,10H,5-8,14H2.
What are the key properties of 2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone?
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 238.72 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 83541941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).