3,4-dimethyl-9H-carbazole-1-carbonitrile

C15H12N2 — CID 101496372

IUPAC3,4-dimethyl-9H-carbazole-1-carbonitrile
SMILESCc1cc(C#N)c2[nH]c3ccccc3c2c1C
InChIInChI=1S/C15H12N2/c1-9-7-11(8-16)15-14(10(9)2)12-5-3-4-6-13(12)17-15/h3-7,17H,1-2H3
InChIKeyQZDJAVIFYSZUBY-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.81
Rot. Bonds

About 3,4-dimethyl-9H-carbazole-1-carbonitrile

3,4-dimethyl-9H-carbazole-1-carbonitrile (PubChem CID 101496372) has the molecular formula C15H12N2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3,4-dimethyl-9H-carbazole-1-carbonitrile.

Molecular Properties

Compound Name3,4-dimethyl-9H-carbazole-1-carbonitrile
PubChem CID101496372
Molecular FormulaC15H12N2
Molecular Weight220.27 g/mol
Exact Mass220.10
IUPAC Name3,4-dimethyl-9H-carbazole-1-carbonitrile
SMILESCc1cc(C#N)c2[nH]c3ccccc3c2c1C
InChIInChI=1S/C15H12N2/c1-9-7-11(8-16)15-14(10(9)2)12-5-3-4-6-13(12)17-15/h3-7,17H,1-2H3
InChIKeyQZDJAVIFYSZUBY-UHFFFAOYSA-N
XLogP3.81
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-9H-carbazole-1-carbonitrile?
The IUPAC name of 3,4-dimethyl-9H-carbazole-1-carbonitrile (CID 101496372) is 3,4-dimethyl-9H-carbazole-1-carbonitrile.
What is the SMILES notation for 3,4-dimethyl-9H-carbazole-1-carbonitrile?
The canonical SMILES for 3,4-dimethyl-9H-carbazole-1-carbonitrile is Cc1cc(C#N)c2[nH]c3ccccc3c2c1C.
What is the InChIKey of 3,4-dimethyl-9H-carbazole-1-carbonitrile?
The InChIKey is QZDJAVIFYSZUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-9-7-11(8-16)15-14(10(9)2)12-5-3-4-6-13(12)17-15/h3-7,17H,1-2H3.
What are the key properties of 3,4-dimethyl-9H-carbazole-1-carbonitrile?
3,4-dimethyl-9H-carbazole-1-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-9H-carbazole-1-carbonitrile is sourced from PubChem (CID 101496372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).