1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide

C14H14NOP — CID 12722703

IUPAC1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide
SMILESCP1(=O)c2ccccc2CN1c1ccccc1
InChIInChI=1S/C14H14NOP/c1-17(16)14-10-6-5-7-12(14)11-15(17)13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyFTHSNNINVNLZAS-UHFFFAOYSA-N
MW243.25 g/mol
LogP3.24
Rot. Bonds1

About 1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide

1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide (PubChem CID 12722703) has the molecular formula C14H14NOP and a molecular weight of 243.25 g/mol. Its IUPAC name is 1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide.

Molecular Properties

Compound Name1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide
PubChem CID12722703
Molecular FormulaC14H14NOP
Molecular Weight243.25 g/mol
Exact Mass243.08
IUPAC Name1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide
SMILESCP1(=O)c2ccccc2CN1c1ccccc1
InChIInChI=1S/C14H14NOP/c1-17(16)14-10-6-5-7-12(14)11-15(17)13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyFTHSNNINVNLZAS-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide?
The IUPAC name of 1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide (CID 12722703) is 1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide.
What is the SMILES notation for 1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide?
The canonical SMILES for 1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide is CP1(=O)c2ccccc2CN1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide?
The InChIKey is FTHSNNINVNLZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NOP/c1-17(16)14-10-6-5-7-12(14)11-15(17)13-8-3-2-4-9-13/h2-10H,11H2,1H3.
What are the key properties of 1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide?
1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide has a molecular weight of 243.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-3H-2,1λ5-benzazaphosphole 1-oxide is sourced from PubChem (CID 12722703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).