1-(4-benzylphenyl)-2-methylideneazetidine

C17H17N — CID 134352048

IUPAC1-(4-benzylphenyl)-2-methylideneazetidine
SMILESC=C1CCN1c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H17N/c1-14-11-12-18(14)17-9-7-16(8-10-17)13-15-5-3-2-4-6-15/h2-10H,1,11-13H2
InChIKeyRIAKOHVNXXLFQS-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.00
Rot. Bonds3

About 1-(4-benzylphenyl)-2-methylideneazetidine

1-(4-benzylphenyl)-2-methylideneazetidine (PubChem CID 134352048) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-2-methylideneazetidine.

Molecular Properties

Compound Name1-(4-benzylphenyl)-2-methylideneazetidine
PubChem CID134352048
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name1-(4-benzylphenyl)-2-methylideneazetidine
SMILESC=C1CCN1c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H17N/c1-14-11-12-18(14)17-9-7-16(8-10-17)13-15-5-3-2-4-6-15/h2-10H,1,11-13H2
InChIKeyRIAKOHVNXXLFQS-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)-2-methylideneazetidine?
The IUPAC name of 1-(4-benzylphenyl)-2-methylideneazetidine (CID 134352048) is 1-(4-benzylphenyl)-2-methylideneazetidine.
What is the SMILES notation for 1-(4-benzylphenyl)-2-methylideneazetidine?
The canonical SMILES for 1-(4-benzylphenyl)-2-methylideneazetidine is C=C1CCN1c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-benzylphenyl)-2-methylideneazetidine?
The InChIKey is RIAKOHVNXXLFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-14-11-12-18(14)17-9-7-16(8-10-17)13-15-5-3-2-4-6-15/h2-10H,1,11-13H2.
What are the key properties of 1-(4-benzylphenyl)-2-methylideneazetidine?
1-(4-benzylphenyl)-2-methylideneazetidine has a molecular weight of 235.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-2-methylideneazetidine is sourced from PubChem (CID 134352048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).