5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one

C10H7Cl2NO — CID 12577679

IUPAC5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one
SMILESO=C1CC=C(c2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C10H7Cl2NO/c11-7-2-1-6(5-8(7)12)9-3-4-10(14)13-9/h1-3,5H,4H2,(H,13,14)
InChIKeyWFRFASKTADGKRA-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.85
Rot. Bonds1

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

5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one (PubChem CID 12577679) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one
PubChem CID12577679
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one
SMILESO=C1CC=C(c2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C10H7Cl2NO/c11-7-2-1-6(5-8(7)12)9-3-4-10(14)13-9/h1-3,5H,4H2,(H,13,14)
InChIKeyWFRFASKTADGKRA-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one (CID 12577679) is 5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one is O=C1CC=C(c2ccc(Cl)c(Cl)c2)N1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one?
The InChIKey is WFRFASKTADGKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-7-2-1-6(5-8(7)12)9-3-4-10(14)13-9/h1-3,5H,4H2,(H,13,14).
What are the key properties of 5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one?
5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one has a molecular weight of 228.08 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1,3-dihydropyrrol-2-one is sourced from PubChem (CID 12577679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).