5-methyl-2-phenyldiazaphosphole

C9H9N2P — CID 2784572

IUPAC5-methyl-2-phenyldiazaphosphole
SMILESCc1cpn(-c2ccccc2)n1
InChIInChI=1S/C9H9N2P/c1-8-7-12-11(10-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyCBJJCTJNQKBQGA-UHFFFAOYSA-N
MW176.16 g/mol
LogP2.76
Rot. Bonds1

About 5-methyl-2-phenyldiazaphosphole

5-methyl-2-phenyldiazaphosphole (PubChem CID 2784572) has the molecular formula C9H9N2P and a molecular weight of 176.16 g/mol. Its IUPAC name is 5-methyl-2-phenyldiazaphosphole.

Molecular Properties

Compound Name5-methyl-2-phenyldiazaphosphole
PubChem CID2784572
Molecular FormulaC9H9N2P
Molecular Weight176.16 g/mol
Exact Mass176.05
IUPAC Name5-methyl-2-phenyldiazaphosphole
SMILESCc1cpn(-c2ccccc2)n1
InChIInChI=1S/C9H9N2P/c1-8-7-12-11(10-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyCBJJCTJNQKBQGA-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyldiazaphosphole?
The IUPAC name of 5-methyl-2-phenyldiazaphosphole (CID 2784572) is 5-methyl-2-phenyldiazaphosphole.
What is the SMILES notation for 5-methyl-2-phenyldiazaphosphole?
The canonical SMILES for 5-methyl-2-phenyldiazaphosphole is Cc1cpn(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-2-phenyldiazaphosphole?
The InChIKey is CBJJCTJNQKBQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2P/c1-8-7-12-11(10-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 5-methyl-2-phenyldiazaphosphole?
5-methyl-2-phenyldiazaphosphole has a molecular weight of 176.16 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyldiazaphosphole is sourced from PubChem (CID 2784572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).