2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one

C16H23ClN2O — CID 60946946

IUPAC2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-3-9-16(2,18)15(20)19-10-5-8-14(19)12-6-4-7-13(17)11-12/h4,6-7,11,14H,3,5,8-10,18H2,1-2H3
InChIKeyZLYCVWQAAIQBDW-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.52
Rot. Bonds4

About 2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one

2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one (PubChem CID 60946946) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one
PubChem CID60946946
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-3-9-16(2,18)15(20)19-10-5-8-14(19)12-6-4-7-13(17)11-12/h4,6-7,11,14H,3,5,8-10,18H2,1-2H3
InChIKeyZLYCVWQAAIQBDW-UHFFFAOYSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one 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

2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
CID 54871574
2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 54872842
[1-(aminomethyl)cyclopropyl]-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 115452869
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 54872576
2-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 79813601
2-(1-aminocyclobutyl)-1-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 97161070
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
[2-(3-chlorophenyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 63131937
3-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 106112107
3-amino-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-4-oxobutanamide
CID 60947054
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-pyrimidin-5-ylethanone
CID 166212254
(2R)-2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]propan-1-one;2-methylpropanenitrile
CID 145446747

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one (CID 60946946) is 2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one is CCCC(C)(N)C(=O)N1CCCC1c1cccc(Cl)c1.
What is the InChIKey of 2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one?
The InChIKey is ZLYCVWQAAIQBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-9-16(2,18)15(20)19-10-5-8-14(19)12-6-4-7-13(17)11-12/h4,6-7,11,14H,3,5,8-10,18H2,1-2H3.
What are the key properties of 2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one?
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one has a molecular weight of 294.83 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 60946946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).