3-methyl-3-phenylazetidine

C10H13N — CID 22249

IUPAC3-methyl-3-phenylazetidine
SMILESCC1(c2ccccc2)CNC1
InChIInChI=1S/C10H13N/c1-10(7-11-8-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyYOLLUMURPUEOJW-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.55
Rot. Bonds1

About 3-methyl-3-phenylazetidine

3-methyl-3-phenylazetidine (PubChem CID 22249) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-methyl-3-phenylazetidine.

Molecular Properties

Compound Name3-methyl-3-phenylazetidine
PubChem CID22249
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-methyl-3-phenylazetidine
SMILESCC1(c2ccccc2)CNC1
InChIInChI=1S/C10H13N/c1-10(7-11-8-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyYOLLUMURPUEOJW-UHFFFAOYSA-N
XLogP1.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenylazetidine?
The IUPAC name of 3-methyl-3-phenylazetidine (CID 22249) is 3-methyl-3-phenylazetidine.
What is the SMILES notation for 3-methyl-3-phenylazetidine?
The canonical SMILES for 3-methyl-3-phenylazetidine is CC1(c2ccccc2)CNC1.
What is the InChIKey of 3-methyl-3-phenylazetidine?
The InChIKey is YOLLUMURPUEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-10(7-11-8-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of 3-methyl-3-phenylazetidine?
3-methyl-3-phenylazetidine has a molecular weight of 147.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenylazetidine is sourced from PubChem (CID 22249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).