9H-carbazole-3-carbonitrile

C13H8N2 — CID 21107343

IUPAC9H-carbazole-3-carbonitrile
SMILESN#Cc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C13H8N2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-7,15H
InChIKeyAPYLNYCULQUSLG-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.19
Rot. Bonds

About 9H-carbazole-3-carbonitrile

9H-carbazole-3-carbonitrile (PubChem CID 21107343) has the molecular formula C13H8N2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 9H-carbazole-3-carbonitrile.

Molecular Properties

Compound Name9H-carbazole-3-carbonitrile
PubChem CID21107343
Molecular FormulaC13H8N2
Molecular Weight192.22 g/mol
Exact Mass192.07
IUPAC Name9H-carbazole-3-carbonitrile
SMILESN#Cc1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C13H8N2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-7,15H
InChIKeyAPYLNYCULQUSLG-UHFFFAOYSA-N
XLogP3.19
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole-3-carbonitrile?
The IUPAC name of 9H-carbazole-3-carbonitrile (CID 21107343) is 9H-carbazole-3-carbonitrile.
What is the SMILES notation for 9H-carbazole-3-carbonitrile?
The canonical SMILES for 9H-carbazole-3-carbonitrile is N#Cc1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 9H-carbazole-3-carbonitrile?
The InChIKey is APYLNYCULQUSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-7,15H.
What are the key properties of 9H-carbazole-3-carbonitrile?
9H-carbazole-3-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole-3-carbonitrile is sourced from PubChem (CID 21107343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).