1-(3,5-dichlorophenyl)pyrrolidin-3-one

C10H9Cl2NO — CID 23052984

IUPAC1-(3,5-dichlorophenyl)pyrrolidin-3-one
SMILESO=C1CCN(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C10H9Cl2NO/c11-7-3-8(12)5-9(4-7)13-2-1-10(14)6-13/h3-5H,1-2,6H2
InChIKeyYQAMSHZQLASLOD-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.77
Rot. Bonds1

About 1-(3,5-dichlorophenyl)pyrrolidin-3-one

1-(3,5-dichlorophenyl)pyrrolidin-3-one (PubChem CID 23052984) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)pyrrolidin-3-one
PubChem CID23052984
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name1-(3,5-dichlorophenyl)pyrrolidin-3-one
SMILESO=C1CCN(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C10H9Cl2NO/c11-7-3-8(12)5-9(4-7)13-2-1-10(14)6-13/h3-5H,1-2,6H2
InChIKeyYQAMSHZQLASLOD-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-Dichlorophenyl)pyrrolidin-2-one
CID 1482471
1-(3-Chlorophenyl)pyrrolidin-2-one
CID 12485468
N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 2740856
1-(4-Chlorophenyl)piperidin-4-one
CID 14212774
(3,5-Dichlorophenyl)diethylamine
CID 2741424
1-Phenyl-3-pyrrolidinone
CID 14495343
1-(3-Chlorophenyl)pyrrolidine
CID 14509632
1-(4-Chlorophenyl)pyrrolidine-2,4-dione
CID 79515714
1-(2,4-Dichlorophenyl)pyrrolidine-2,4-dione
CID 79517489
1-(2-Chlorophenyl)pyrrolidine-2,4-dione
CID 79517494
4-(4-chloro-N-methylanilino)-2-butanone
CID 20396455
1-(3,5-dichlorophenyl)Pyrrolidine
CID 67936791

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)pyrrolidin-3-one?
The IUPAC name of 1-(3,5-dichlorophenyl)pyrrolidin-3-one (CID 23052984) is 1-(3,5-dichlorophenyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)pyrrolidin-3-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)pyrrolidin-3-one is O=C1CCN(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-(3,5-dichlorophenyl)pyrrolidin-3-one?
The InChIKey is YQAMSHZQLASLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-7-3-8(12)5-9(4-7)13-2-1-10(14)6-13/h3-5H,1-2,6H2.
What are the key properties of 1-(3,5-dichlorophenyl)pyrrolidin-3-one?
1-(3,5-dichlorophenyl)pyrrolidin-3-one has a molecular weight of 230.09 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)pyrrolidin-3-one is sourced from PubChem (CID 23052984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).