4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one

C12H15ClN2O2 — CID 168659664

IUPAC4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(Cl)c1N1CC(CN)CC1=O
InChIInChI=1S/C12H15ClN2O2/c1-17-10-4-2-3-9(13)12(10)15-7-8(6-14)5-11(15)16/h2-4,8H,5-7,14H2,1H3
InChIKeyDTHWWXNNKILFRS-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.66
Rot. Bonds3

About 4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one

4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one (PubChem CID 168659664) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one
PubChem CID168659664
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(Cl)c1N1CC(CN)CC1=O
InChIInChI=1S/C12H15ClN2O2/c1-17-10-4-2-3-9(13)12(10)15-7-8(6-14)5-11(15)16/h2-4,8H,5-7,14H2,1H3
InChIKeyDTHWWXNNKILFRS-UHFFFAOYSA-N
XLogP1.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methoxyphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507585
4-(aminomethyl)-1-(5-chloro-2-methoxy-4-methylphenyl)pyrrolidin-2-one
CID 83556585
[1-(2-fluoro-6-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673174
4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one
CID 168660485
1-(2,6-dichlorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671276
4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one
CID 65475154
methyl 3-chloro-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]benzoate
CID 168670076
4-(hydroxymethyl)-1-(2-methoxy-6-nitrophenyl)pyrrolidin-2-one
CID 168662496
methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-bromobenzoate
CID 168659522
4-(aminomethyl)-1-[2-bromo-6-chloro-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 168660478
2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid
CID 168699622
4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168660467

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one (CID 168659664) is 4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one is COc1cccc(Cl)c1N1CC(CN)CC1=O.
What is the InChIKey of 4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is DTHWWXNNKILFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-10-4-2-3-9(13)12(10)15-7-8(6-14)5-11(15)16/h2-4,8H,5-7,14H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 254.72 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168659664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).