CID 101083027

C15H9N2 — CID 101083027

IUPAC—
SMILES[N]=C=c1ccc(=Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C15H9N2/c16-10-14-5-1-12(2-6-14)9-13-3-7-15(11-17)8-4-13/h1-9H
InChIKeyVSXOCPXMHGZXRY-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.53
Rot. Bonds1

About CID 101083027

CID 101083027 (PubChem CID 101083027) has the molecular formula C15H9N2 and a molecular weight of 217.25 g/mol.

Molecular Properties

Compound NameCID 101083027
PubChem CID101083027
Molecular FormulaC15H9N2
Molecular Weight217.25 g/mol
Exact Mass217.08
IUPAC Name—
SMILES[N]=C=c1ccc(=Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C15H9N2/c16-10-14-5-1-12(2-6-14)9-13-3-7-15(11-17)8-4-13/h1-9H
InChIKeyVSXOCPXMHGZXRY-UHFFFAOYSA-N
XLogP0.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101083027?
The IUPAC name of CID 101083027 (CID 101083027) is not available.
What is the SMILES notation for CID 101083027?
The canonical SMILES for CID 101083027 is [N]=C=c1ccc(=Cc2ccc(C#N)cc2)cc1.
What is the InChIKey of CID 101083027?
The InChIKey is VSXOCPXMHGZXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N2/c16-10-14-5-1-12(2-6-14)9-13-3-7-15(11-17)8-4-13/h1-9H.
What are the key properties of CID 101083027?
CID 101083027 has a molecular weight of 217.25 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101083027 is sourced from PubChem (CID 101083027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).