(3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one

C11H10ClNO — CID 121221004

IUPAC(3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one
SMILESO=C1/C(=C/CCl)CN1c1ccccc1
InChIInChI=1S/C11H10ClNO/c12-7-6-9-8-13(11(9)14)10-4-2-1-3-5-10/h1-6H,7-8H2/b9-6+
InChIKeyVJMBLVQNYQDBLD-RMKNXTFCSA-N
MW207.66 g/mol
LogP2.20
Rot. Bonds2

About (3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one

(3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one (PubChem CID 121221004) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is (3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one.

Molecular Properties

Compound Name(3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one
PubChem CID121221004
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name(3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one
SMILESO=C1/C(=C/CCl)CN1c1ccccc1
InChIInChI=1S/C11H10ClNO/c12-7-6-9-8-13(11(9)14)10-4-2-1-3-5-10/h1-6H,7-8H2/b9-6+
InChIKeyVJMBLVQNYQDBLD-RMKNXTFCSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one?
The IUPAC name of (3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one (CID 121221004) is (3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one.
What is the SMILES notation for (3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one?
The canonical SMILES for (3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one is O=C1/C(=C/CCl)CN1c1ccccc1.
What is the InChIKey of (3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one?
The InChIKey is VJMBLVQNYQDBLD-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-7-6-9-8-13(11(9)14)10-4-2-1-3-5-10/h1-6H,7-8H2/b9-6+.
What are the key properties of (3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one?
(3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one has a molecular weight of 207.66 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one is sourced from PubChem (CID 121221004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).