3-[(4-chlorophenyl)methylidene]azetidine

C10H10ClN — CID 79879268

IUPAC3-[(4-chlorophenyl)methylidene]azetidine
SMILESClc1ccc(C=C2CNC2)cc1
InChIInChI=1S/C10H10ClN/c11-10-3-1-8(2-4-10)5-9-6-12-7-9/h1-5,12H,6-7H2
InChIKeySXWBXWQZRTWQPI-UHFFFAOYSA-N
MW179.65 g/mol
LogP2.33
Rot. Bonds1

About 3-[(4-chlorophenyl)methylidene]azetidine

3-[(4-chlorophenyl)methylidene]azetidine (PubChem CID 79879268) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylidene]azetidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylidene]azetidine
PubChem CID79879268
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name3-[(4-chlorophenyl)methylidene]azetidine
SMILESClc1ccc(C=C2CNC2)cc1
InChIInChI=1S/C10H10ClN/c11-10-3-1-8(2-4-10)5-9-6-12-7-9/h1-5,12H,6-7H2
InChIKeySXWBXWQZRTWQPI-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylidene]azetidine?
The IUPAC name of 3-[(4-chlorophenyl)methylidene]azetidine (CID 79879268) is 3-[(4-chlorophenyl)methylidene]azetidine.
What is the SMILES notation for 3-[(4-chlorophenyl)methylidene]azetidine?
The canonical SMILES for 3-[(4-chlorophenyl)methylidene]azetidine is Clc1ccc(C=C2CNC2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylidene]azetidine?
The InChIKey is SXWBXWQZRTWQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN/c11-10-3-1-8(2-4-10)5-9-6-12-7-9/h1-5,12H,6-7H2.
What are the key properties of 3-[(4-chlorophenyl)methylidene]azetidine?
3-[(4-chlorophenyl)methylidene]azetidine has a molecular weight of 179.65 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylidene]azetidine is sourced from PubChem (CID 79879268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).