4-(4-chlorophenyl)-5-methylidenepyrrol-2-one

C11H8ClNO — CID 90329704

IUPAC4-(4-chlorophenyl)-5-methylidenepyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO/c1-7-10(6-11(14)13-7)8-2-4-9(12)5-3-8/h2-6H,1H2,(H,13,14)
InChIKeyHHCPGPHTKXVNHA-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.37
Rot. Bonds1

About 4-(4-chlorophenyl)-5-methylidenepyrrol-2-one

4-(4-chlorophenyl)-5-methylidenepyrrol-2-one (PubChem CID 90329704) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-methylidenepyrrol-2-one
PubChem CID90329704
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name4-(4-chlorophenyl)-5-methylidenepyrrol-2-one
SMILESC=C1NC(=O)C=C1c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClNO/c1-7-10(6-11(14)13-7)8-2-4-9(12)5-3-8/h2-6H,1H2,(H,13,14)
InChIKeyHHCPGPHTKXVNHA-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 4-(4-chlorophenyl)-5-methylidenepyrrol-2-one (CID 90329704) is 4-(4-chlorophenyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-methylidenepyrrol-2-one is C=C1NC(=O)C=C1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-methylidenepyrrol-2-one?
The InChIKey is HHCPGPHTKXVNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c1-7-10(6-11(14)13-7)8-2-4-9(12)5-3-8/h2-6H,1H2,(H,13,14).
What are the key properties of 4-(4-chlorophenyl)-5-methylidenepyrrol-2-one?
4-(4-chlorophenyl)-5-methylidenepyrrol-2-one has a molecular weight of 205.64 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 90329704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).