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

C13H16Cl2N2O — CID 168658795

IUPAC4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one
SMILESCC(c1ccc(Cl)c(Cl)c1)N1CC(CN)CC1=O
InChIInChI=1S/C13H16Cl2N2O/c1-8(10-2-3-11(14)12(15)5-10)17-7-9(6-16)4-13(17)18/h2-3,5,8-9H,4,6-7,16H2,1H3
InChIKeyPAZPUNSJZLNJKI-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.86
Rot. Bonds3

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

4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 168658795) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one
PubChem CID168658795
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one
SMILESCC(c1ccc(Cl)c(Cl)c1)N1CC(CN)CC1=O
InChIInChI=1S/C13H16Cl2N2O/c1-8(10-2-3-11(14)12(15)5-10)17-7-9(6-16)4-13(17)18/h2-3,5,8-9H,4,6-7,16H2,1H3
InChIKeyPAZPUNSJZLNJKI-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168683556
4-(chloromethyl)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168506584
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
1-[1-(4-chlorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669235
1-[1-(3,4-difluorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669233
4-(aminomethyl)-1-(1-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168658813
4-(bromomethyl)-1-[(1S)-1-(4-bromophenyl)ethyl]pyrrolidin-2-one
CID 168503355
[1-[1-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672553
2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069288
1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716499
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 168658772

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one (CID 168658795) is 4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one is CC(c1ccc(Cl)c(Cl)c1)N1CC(CN)CC1=O.
What is the InChIKey of 4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is PAZPUNSJZLNJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-8(10-2-3-11(14)12(15)5-10)17-7-9(6-16)4-13(17)18/h2-3,5,8-9H,4,6-7,16H2,1H3.
What are the key properties of 4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 287.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168658795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).