1H-indole-4-carbonitrile

C9H6N2 — CID 3817602

IUPAC1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]ccc12
InChIInChI=1S/C9H6N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H
InChIKeyCEUFGDDOMXCXFW-UHFFFAOYSA-N
MW142.16 g/mol
LogP2.04
Rot. Bonds

About 1H-indole-4-carbonitrile

1H-indole-4-carbonitrile (PubChem CID 3817602) has the molecular formula C9H6N2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 1H-indole-4-carbonitrile.

Molecular Properties

Compound Name1H-indole-4-carbonitrile
PubChem CID3817602
Molecular FormulaC9H6N2
Molecular Weight142.16 g/mol
Exact Mass142.05
IUPAC Name1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]ccc12
InChIInChI=1S/C9H6N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H
InChIKeyCEUFGDDOMXCXFW-UHFFFAOYSA-N
XLogP2.04
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-indole-4-carbonitrile?
The IUPAC name of 1H-indole-4-carbonitrile (CID 3817602) is 1H-indole-4-carbonitrile.
What is the SMILES notation for 1H-indole-4-carbonitrile?
The canonical SMILES for 1H-indole-4-carbonitrile is N#Cc1cccc2[nH]ccc12.
What is the InChIKey of 1H-indole-4-carbonitrile?
The InChIKey is CEUFGDDOMXCXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H.
What are the key properties of 1H-indole-4-carbonitrile?
1H-indole-4-carbonitrile has a molecular weight of 142.16 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-4-carbonitrile is sourced from PubChem (CID 3817602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).