4-phenyl-2,3-dihydroazete

C9H9N — CID 568635

IUPAC4-phenyl-2,3-dihydroazete
SMILESc1ccc(C2=NCC2)cc1
InChIInChI=1S/C9H9N/c1-2-4-8(5-3-1)9-6-7-10-9/h1-5H,6-7H2
InChIKeyHDSHTONAWOGQQH-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.88
Rot. Bonds1

About 4-phenyl-2,3-dihydroazete

4-phenyl-2,3-dihydroazete (PubChem CID 568635) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 4-phenyl-2,3-dihydroazete.

Molecular Properties

Compound Name4-phenyl-2,3-dihydroazete
PubChem CID568635
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name4-phenyl-2,3-dihydroazete
SMILESc1ccc(C2=NCC2)cc1
InChIInChI=1S/C9H9N/c1-2-4-8(5-3-1)9-6-7-10-9/h1-5H,6-7H2
InChIKeyHDSHTONAWOGQQH-UHFFFAOYSA-N
XLogP1.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,3-dihydroazete?
The IUPAC name of 4-phenyl-2,3-dihydroazete (CID 568635) is 4-phenyl-2,3-dihydroazete.
What is the SMILES notation for 4-phenyl-2,3-dihydroazete?
The canonical SMILES for 4-phenyl-2,3-dihydroazete is c1ccc(C2=NCC2)cc1.
What is the InChIKey of 4-phenyl-2,3-dihydroazete?
The InChIKey is HDSHTONAWOGQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-4-8(5-3-1)9-6-7-10-9/h1-5H,6-7H2.
What are the key properties of 4-phenyl-2,3-dihydroazete?
4-phenyl-2,3-dihydroazete has a molecular weight of 131.18 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,3-dihydroazete is sourced from PubChem (CID 568635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).