2-methylanthracene-1-carbonitrile

C16H11N — CID 22743920

IUPAC2-methylanthracene-1-carbonitrile
SMILESCc1ccc2cc3ccccc3cc2c1C#N
InChIInChI=1S/C16H11N/c1-11-6-7-14-8-12-4-2-3-5-13(12)9-15(14)16(11)10-17/h2-9H,1H3
InChIKeyRCVKFSCFGTZHCD-UHFFFAOYSA-N
MW217.27 g/mol
LogP4.17
Rot. Bonds

About 2-methylanthracene-1-carbonitrile

2-methylanthracene-1-carbonitrile (PubChem CID 22743920) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methylanthracene-1-carbonitrile.

Molecular Properties

Compound Name2-methylanthracene-1-carbonitrile
PubChem CID22743920
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Name2-methylanthracene-1-carbonitrile
SMILESCc1ccc2cc3ccccc3cc2c1C#N
InChIInChI=1S/C16H11N/c1-11-6-7-14-8-12-4-2-3-5-13(12)9-15(14)16(11)10-17/h2-9H,1H3
InChIKeyRCVKFSCFGTZHCD-UHFFFAOYSA-N
XLogP4.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-methylanthracene-1-carbonitrile 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 2-methylanthracene-1-carbonitrile?
The IUPAC name of 2-methylanthracene-1-carbonitrile (CID 22743920) is 2-methylanthracene-1-carbonitrile.
What is the SMILES notation for 2-methylanthracene-1-carbonitrile?
The canonical SMILES for 2-methylanthracene-1-carbonitrile is Cc1ccc2cc3ccccc3cc2c1C#N.
What is the InChIKey of 2-methylanthracene-1-carbonitrile?
The InChIKey is RCVKFSCFGTZHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c1-11-6-7-14-8-12-4-2-3-5-13(12)9-15(14)16(11)10-17/h2-9H,1H3.
What are the key properties of 2-methylanthracene-1-carbonitrile?
2-methylanthracene-1-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylanthracene-1-carbonitrile is sourced from PubChem (CID 22743920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).