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

C10H9Cl2NO — CID 1482471

IUPAC1-(3,5-dichlorophenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO/c11-7-4-8(12)6-9(5-7)13-3-1-2-10(13)14/h4-6H,1-3H2
InChIKeyFXYWMVJDQVSZDA-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.12
Rot. Bonds1

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

1-(3,5-dichlorophenyl)pyrrolidin-2-one (PubChem CID 1482471) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)pyrrolidin-2-one
PubChem CID1482471
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name1-(3,5-dichlorophenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H9Cl2NO/c11-7-4-8(12)6-9(5-7)13-3-1-2-10(13)14/h4-6H,1-3H2
InChIKeyFXYWMVJDQVSZDA-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dichlorophenyl)pyrrolidin-2-one (CID 1482471) is 1-(3,5-dichlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)pyrrolidin-2-one is O=C1CCCN1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)pyrrolidin-2-one?
The InChIKey is FXYWMVJDQVSZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-7-4-8(12)6-9(5-7)13-3-1-2-10(13)14/h4-6H,1-3H2.
What are the key properties of 1-(3,5-dichlorophenyl)pyrrolidin-2-one?
1-(3,5-dichlorophenyl)pyrrolidin-2-one has a molecular weight of 230.09 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 1482471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).