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

C12H8N2 — CID 172799922

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 Name2-(1H-inden-1-yl)propanedinitrile
PubChem CID172799922
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Name2-(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
XLogP2.46
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;hydride;1-[1-(1H-inden-1-yl)ethyl]-1H-indene
CID 173341503
CID 54557103
CID 54557103
1-[bis(4-methoxyphenyl)methyl]-1H-indene
CID 122215297
bis[1-(1H-inden-1-yl)butyl]-dimethylsilane
CID 23131966
1H-inden-1-amine
CID 14298803
1,2,2a,8b-tetrahydrocyclobuta[a]naphthalene-1-carbonitrile
CID 71372798
2-[(4S)-2-tert-butyl-4H-chromen-4-yl]propanedinitrile
CID 703330
cobalt;1H-inden-1-ylmethanone
CID 150174456
tetrakis(1H-inden-1-yl)silane
CID 18688182
1-methanidyl-1H-indene;zirconium
CID 172710761
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
CID 10809432
CID 10809432

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).