1-(4-chlorophenyl)-3-methylideneazetidin-2-one

C10H8ClNO — CID 125478534

IUPAC1-(4-chlorophenyl)-3-methylideneazetidin-2-one
SMILESC=C1CN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C10H8ClNO/c1-7-6-12(10(7)13)9-4-2-8(11)3-5-9/h2-5H,1,6H2
InChIKeyQQWVSURFYKIHMF-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.24
Rot. Bonds1

About 1-(4-chlorophenyl)-3-methylideneazetidin-2-one

1-(4-chlorophenyl)-3-methylideneazetidin-2-one (PubChem CID 125478534) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methylideneazetidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methylideneazetidin-2-one
PubChem CID125478534
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name1-(4-chlorophenyl)-3-methylideneazetidin-2-one
SMILESC=C1CN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C10H8ClNO/c1-7-6-12(10(7)13)9-4-2-8(11)3-5-9/h2-5H,1,6H2
InChIKeyQQWVSURFYKIHMF-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one
CID 125478721
1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane
CID 177019108
5-chloro-2-(4-chlorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 150748551
2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione
CID 13194948
1-(4-chlorophenyl)-3-ethylimidazolidine-2,4-dione
CID 60837616
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
methyl 1-(4-chlorophenyl)-4-(methylamino)-5-oxo-2H-pyrrole-3-carboxylate
CID 171716311
1-(4-chlorophenyl)-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 60837458
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one
CID 1475315
1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione
CID 60837459
6-chloro-2-phenyl-3H-isoindol-1-one
CID 156790254

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methylideneazetidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-methylideneazetidin-2-one (CID 125478534) is 1-(4-chlorophenyl)-3-methylideneazetidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methylideneazetidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-methylideneazetidin-2-one is C=C1CN(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-methylideneazetidin-2-one?
The InChIKey is QQWVSURFYKIHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-7-6-12(10(7)13)9-4-2-8(11)3-5-9/h2-5H,1,6H2.
What are the key properties of 1-(4-chlorophenyl)-3-methylideneazetidin-2-one?
1-(4-chlorophenyl)-3-methylideneazetidin-2-one has a molecular weight of 193.63 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methylideneazetidin-2-one is sourced from PubChem (CID 125478534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).