10-methylanthracene-9-carbonitrile

C16H11N — CID 12617916

IUPAC10-methylanthracene-9-carbonitrile
SMILESCc1c2ccccc2c(C#N)c2ccccc12
InChIInChI=1S/C16H11N/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-9H,1H3
InChIKeyWZWRZJWPLAVPPD-UHFFFAOYSA-N
MW217.27 g/mol
LogP4.17
Rot. Bonds

About 10-methylanthracene-9-carbonitrile

10-methylanthracene-9-carbonitrile (PubChem CID 12617916) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is 10-methylanthracene-9-carbonitrile.

Molecular Properties

Compound Name10-methylanthracene-9-carbonitrile
PubChem CID12617916
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Name10-methylanthracene-9-carbonitrile
SMILESCc1c2ccccc2c(C#N)c2ccccc12
InChIInChI=1S/C16H11N/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-9H,1H3
InChIKeyWZWRZJWPLAVPPD-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'}

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Frequently Asked Questions

What is the IUPAC name of 10-methylanthracene-9-carbonitrile?
The IUPAC name of 10-methylanthracene-9-carbonitrile (CID 12617916) is 10-methylanthracene-9-carbonitrile.
What is the SMILES notation for 10-methylanthracene-9-carbonitrile?
The canonical SMILES for 10-methylanthracene-9-carbonitrile is Cc1c2ccccc2c(C#N)c2ccccc12.
What is the InChIKey of 10-methylanthracene-9-carbonitrile?
The InChIKey is WZWRZJWPLAVPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-9H,1H3.
What are the key properties of 10-methylanthracene-9-carbonitrile?
10-methylanthracene-9-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 10-methylanthracene-9-carbonitrile is sourced from PubChem (CID 12617916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).