2-(1H-inden-1-yl)propanedinitrile

Name: 2-(1H-inden-1-yl)propanedinitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₈N₂ — CID 172799922

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(1H-inden-1-yl)propanedinitrile

SMILESN#CC(C#N)C1C=Cc2ccccc21

InChIInChI=1S/C12H8N2/c13-7-10(8-14)12-6-5-9-3-1-2-4-11(9)12/h1-6,10,12H

InChIKeyQSKKVMDTAPUADY-UHFFFAOYSA-N

MW180.21 g/mol

LogP2.46

Rot. Bonds1

About 2-(1H-inden-1-yl)propanedinitrile

2-(1H-inden-1-yl)propanedinitrile (PubChem CID 172799922) has the molecular formula C₁₂H₈N₂ and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1H-inden-1-yl)propanedinitrile.

Molecular Properties

Compound Name	2-(1H-inden-1-yl)propanedinitrile
PubChem CID	172799922
Molecular Formula	C₁₂H₈N₂
Molecular Weight	180.21 g/mol
Exact Mass	180.07
IUPAC Name	2-(1H-inden-1-yl)propanedinitrile
SMILES	N#CC(C#N)C1C=Cc2ccccc21
InChI	InChI=1S/C12H8N2/c13-7-10(8-14)12-6-5-9-3-1-2-4-11(9)12/h1-6,10,12H
InChIKey	QSKKVMDTAPUADY-UHFFFAOYSA-N
XLogP	2.46
TPSA	47.58 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.21
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(1H-inden-1-yl)propanedinitrile?

The IUPAC name of 2-(1H-inden-1-yl)propanedinitrile (CID 172799922) is 2-(1H-inden-1-yl)propanedinitrile.

What is the SMILES notation for 2-(1H-inden-1-yl)propanedinitrile?

The canonical SMILES for 2-(1H-inden-1-yl)propanedinitrile is N#CC(C#N)C1C=Cc2ccccc21.

What is the InChIKey of 2-(1H-inden-1-yl)propanedinitrile?

The InChIKey is QSKKVMDTAPUADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c13-7-10(8-14)12-6-5-9-3-1-2-4-11(9)12/h1-6,10,12H.

What are the key properties of 2-(1H-inden-1-yl)propanedinitrile?

2-(1H-inden-1-yl)propanedinitrile has a molecular weight of 180.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-inden-1-yl)propanedinitrile is sourced from PubChem (CID 172799922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 172799922 — identifiers, structure, computed properties (public domain)

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