3H-indene-5-carbonitrile

C10H7N — CID 141156739

IUPAC3H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC=C2
InChIInChI=1S/C10H7N/c11-7-8-4-5-9-2-1-3-10(9)6-8/h1-2,4-6H,3H2
InChIKeyINWWRZCPJTXWHT-UHFFFAOYSA-N
MW141.17 g/mol
LogP2.13
Rot. Bonds

About 3H-indene-5-carbonitrile

3H-indene-5-carbonitrile (PubChem CID 141156739) has the molecular formula C10H7N and a molecular weight of 141.17 g/mol. Its IUPAC name is 3H-indene-5-carbonitrile.

Molecular Properties

Compound Name3H-indene-5-carbonitrile
PubChem CID141156739
Molecular FormulaC10H7N
Molecular Weight141.17 g/mol
Exact Mass141.06
IUPAC Name3H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CC=C2
InChIInChI=1S/C10H7N/c11-7-8-4-5-9-2-1-3-10(9)6-8/h1-2,4-6H,3H2
InChIKeyINWWRZCPJTXWHT-UHFFFAOYSA-N
XLogP2.13
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3H-indene-5-carbonitrile?
The IUPAC name of 3H-indene-5-carbonitrile (CID 141156739) is 3H-indene-5-carbonitrile.
What is the SMILES notation for 3H-indene-5-carbonitrile?
The canonical SMILES for 3H-indene-5-carbonitrile is N#Cc1ccc2c(c1)CC=C2.
What is the InChIKey of 3H-indene-5-carbonitrile?
The InChIKey is INWWRZCPJTXWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N/c11-7-8-4-5-9-2-1-3-10(9)6-8/h1-2,4-6H,3H2.
What are the key properties of 3H-indene-5-carbonitrile?
3H-indene-5-carbonitrile has a molecular weight of 141.17 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indene-5-carbonitrile is sourced from PubChem (CID 141156739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).