4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile

C11H9Cl2N3O — CID 168700407

IUPAC4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile
SMILESN#Cc1cc(Cl)c(N2CC(N)CC2=O)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O/c12-8-1-6(4-14)2-9(13)11(8)16-5-7(15)3-10(16)17/h1-2,7H,3,5,15H2
InChIKeyQDQCEOBWORWEJA-UHFFFAOYSA-N
MW270.12 g/mol
LogP1.93
Rot. Bonds1

About 4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile

4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile (PubChem CID 168700407) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile.

Molecular Properties

Compound Name4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile
PubChem CID168700407
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile
SMILESN#Cc1cc(Cl)c(N2CC(N)CC2=O)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O/c12-8-1-6(4-14)2-9(13)11(8)16-5-7(15)3-10(16)17/h1-2,7H,3,5,15H2
InChIKeyQDQCEOBWORWEJA-UHFFFAOYSA-N
XLogP1.93
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 168508590
4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one
CID 168701038
2-(4-amino-2-oxopyrrolidin-1-yl)-5-cyanobenzoic acid
CID 168700713
4-amino-1-(4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700417
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700414
4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
CID 168700400
3-chloro-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 168663652
1-(2-chloro-4-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718905
4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one
CID 43521111
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
2-(4-amino-2-oxopyrrolidin-1-yl)-5-methylthiophene-3-carbonitrile
CID 168699885
4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168699685

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile?
The IUPAC name of 4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile (CID 168700407) is 4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile.
What is the SMILES notation for 4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile?
The canonical SMILES for 4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile is N#Cc1cc(Cl)c(N2CC(N)CC2=O)c(Cl)c1.
What is the InChIKey of 4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile?
The InChIKey is QDQCEOBWORWEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c12-8-1-6(4-14)2-9(13)11(8)16-5-7(15)3-10(16)17/h1-2,7H,3,5,15H2.
What are the key properties of 4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile?
4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile has a molecular weight of 270.12 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile is sourced from PubChem (CID 168700407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).