(3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone

C12H15ClN2O — CID 103576119

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)cc2)CC1N
InChIInChI=1S/C12H15ClN2O/c1-8-6-15(7-11(8)14)12(16)9-2-4-10(13)5-3-9/h2-5,8,11H,6-7,14H2,1H3
InChIKeyODUPRLPUHCXANJ-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.76
Rot. Bonds1

About (3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone

(3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone (PubChem CID 103576119) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone
PubChem CID103576119
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)cc2)CC1N
InChIInChI=1S/C12H15ClN2O/c1-8-6-15(7-11(8)14)12(16)9-2-4-10(13)5-3-9/h2-5,8,11H,6-7,14H2,1H3
InChIKeyODUPRLPUHCXANJ-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-4-methylpyrrolidin-1-yl)-(3,4-difluorophenyl)methanone
CID 103576062
(3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82879192
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
4-(3,4-dimethylpyrrolidine-1-carbonyl)benzenecarbothioamide
CID 79038709
(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone
CID 103575825
(3-amino-4-methylpyrrolidin-1-yl)-(3-bromo-2-chlorophenyl)methanone
CID 103575762
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103575914
(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79879858
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328198
(3-amino-4-methylpyrrolidin-1-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103576097
(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 119592537

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone (CID 103576119) is (3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone is CC1CN(C(=O)c2ccc(Cl)cc2)CC1N.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone?
The InChIKey is ODUPRLPUHCXANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8-6-15(7-11(8)14)12(16)9-2-4-10(13)5-3-9/h2-5,8,11H,6-7,14H2,1H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone has a molecular weight of 238.72 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 103576119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).