2-methylbenzo[cd]indole

C12H9N — CID 12733292

IUPAC2-methylbenzo[cd]indole
SMILESCC1=Nc2cccc3cccc1c23
InChIInChI=1S/C12H9N/c1-8-10-6-2-4-9-5-3-7-11(13-8)12(9)10/h2-7H,1H3
InChIKeyJNLAQIIRQDATHG-UHFFFAOYSA-N
MW167.21 g/mol
LogP3.29
Rot. Bonds

About 2-methylbenzo[cd]indole

2-methylbenzo[cd]indole (PubChem CID 12733292) has the molecular formula C12H9N and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methylbenzo[cd]indole.

Molecular Properties

Compound Name2-methylbenzo[cd]indole
PubChem CID12733292
Molecular FormulaC12H9N
Molecular Weight167.21 g/mol
Exact Mass167.07
IUPAC Name2-methylbenzo[cd]indole
SMILESCC1=Nc2cccc3cccc1c23
InChIInChI=1S/C12H9N/c1-8-10-6-2-4-9-5-3-7-11(13-8)12(9)10/h2-7H,1H3
InChIKeyJNLAQIIRQDATHG-UHFFFAOYSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzo[cd]indole?
The IUPAC name of 2-methylbenzo[cd]indole (CID 12733292) is 2-methylbenzo[cd]indole.
What is the SMILES notation for 2-methylbenzo[cd]indole?
The canonical SMILES for 2-methylbenzo[cd]indole is CC1=Nc2cccc3cccc1c23.
What is the InChIKey of 2-methylbenzo[cd]indole?
The InChIKey is JNLAQIIRQDATHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N/c1-8-10-6-2-4-9-5-3-7-11(13-8)12(9)10/h2-7H,1H3.
What are the key properties of 2-methylbenzo[cd]indole?
2-methylbenzo[cd]indole has a molecular weight of 167.21 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzo[cd]indole is sourced from PubChem (CID 12733292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).