4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one

C10H11Cl2N3O — CID 168701038

IUPAC4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one
SMILESNc1c(Cl)cc(Cl)cc1N1CC(N)CC1=O
InChIInChI=1S/C10H11Cl2N3O/c11-5-1-7(12)10(14)8(2-5)15-4-6(13)3-9(15)16/h1-2,6H,3-4,13-14H2
InChIKeyFFRXIPMIMLFTGD-UHFFFAOYSA-N
MW260.12 g/mol
LogP1.64
Rot. Bonds1

About 4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one

4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one (PubChem CID 168701038) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one
PubChem CID168701038
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one
SMILESNc1c(Cl)cc(Cl)cc1N1CC(N)CC1=O
InChIInChI=1S/C10H11Cl2N3O/c11-5-1-7(12)10(14)8(2-5)15-4-6(13)3-9(15)16/h1-2,6H,3-4,13-14H2
InChIKeyFFRXIPMIMLFTGD-UHFFFAOYSA-N
XLogP1.64
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-3,5-dichlorophenyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506024
1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698272
S-[1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707102
4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
CID 168700400
4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile
CID 168700407
4-amino-1-(2-chloro-4-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168699685
4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521028
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
4-(azidomethyl)-1-(3,5-dichloro-2-fluorophenyl)pyrrolidin-2-one
CID 168658269
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700414
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
4-amino-1-(4-chloro-3-iodophenyl)pyrrolidin-2-one
CID 168700601

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one (CID 168701038) is 4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one is Nc1c(Cl)cc(Cl)cc1N1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one?
The InChIKey is FFRXIPMIMLFTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O/c11-5-1-7(12)10(14)8(2-5)15-4-6(13)3-9(15)16/h1-2,6H,3-4,13-14H2.
What are the key properties of 4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one?
4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one has a molecular weight of 260.12 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168701038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).