4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one

C13H17ClN2O — CID 71683623

IUPAC4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C13H17ClN2O/c14-12-3-1-2-10(6-12)4-5-16-9-11(8-15)7-13(16)17/h1-3,6,11H,4-5,7-9,15H2
InChIKeyQYVXNYUYXOTERU-UHFFFAOYSA-N
MW252.74 g/mol
LogP1.69
Rot. Bonds4

About 4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one

4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 71683623) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
PubChem CID71683623
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(CCc2cccc(Cl)c2)C1
InChIInChI=1S/C13H17ClN2O/c14-12-3-1-2-10(6-12)4-5-16-9-11(8-15)7-13(16)17/h1-3,6,11H,4-5,7-9,15H2
InChIKeyQYVXNYUYXOTERU-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(cyclopropylmethylamino)pyrrolidin-2-one
CID 26406990
N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25378968
1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 110413373
4-(aminomethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 52988220
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
CID 42567385
4-(aminomethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-2-one
CID 83552164
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 26329415
(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one
CID 25396302
4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168660240
1-[2-(3-methylphenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670676
1-[2-(3-bromophenyl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663110

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one (CID 71683623) is 4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one is NCC1CC(=O)N(CCc2cccc(Cl)c2)C1.
What is the InChIKey of 4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is QYVXNYUYXOTERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-3-1-2-10(6-12)4-5-16-9-11(8-15)7-13(16)17/h1-3,6,11H,4-5,7-9,15H2.
What are the key properties of 4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 252.74 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 71683623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).