4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one

C12H14Cl2N2O — CID 168700170

IUPAC4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(CCc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O/c13-9-1-2-11(14)8(5-9)3-4-16-7-10(15)6-12(16)17/h1-2,5,10H,3-4,6-7,15H2
InChIKeyGSKADGJJJZRROV-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.10
Rot. Bonds3

About 4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one

4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 168700170) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
PubChem CID168700170
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(CCc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O/c13-9-1-2-11(14)8(5-9)3-4-16-7-10(15)6-12(16)17/h1-2,5,10H,3-4,6-7,15H2
InChIKeyGSKADGJJJZRROV-UHFFFAOYSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508277
[1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681951
1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691364
4-(chloromethyl)-1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508293
1-[2-(2-chlorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670974
4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82159582
4-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-2-one
CID 82159571
4-amino-1-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidin-2-one
CID 168699121
methyl 1-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694167
4-(bromomethyl)-1-[2-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168504956
4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 71683623
1-[2-(2,4-dichlorophenyl)ethyl]-5-methyl-1,3-diazinane-2,4-dione
CID 79777156

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one (CID 168700170) is 4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one is NC1CC(=O)N(CCc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is GSKADGJJJZRROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-9-1-2-11(14)8(5-9)3-4-16-7-10(15)6-12(16)17/h1-2,5,10H,3-4,6-7,15H2.
What are the key properties of 4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one?
4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 273.16 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168700170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).