indene-2,2-dicarbonitrile

C11H6N2 — CID 154029382

IUPACindene-2,2-dicarbonitrile
SMILESN#CC1(C#N)C=c2ccccc2=C1
InChIInChI=1S/C11H6N2/c12-7-11(8-13)5-9-3-1-2-4-10(9)6-11/h1-6H
InChIKeyDEHWMKMZSVNZKT-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.29
Rot. Bonds

About indene-2,2-dicarbonitrile

indene-2,2-dicarbonitrile (PubChem CID 154029382) has the molecular formula C11H6N2 and a molecular weight of 166.18 g/mol. Its IUPAC name is indene-2,2-dicarbonitrile.

Molecular Properties

Compound Nameindene-2,2-dicarbonitrile
PubChem CID154029382
Molecular FormulaC11H6N2
Molecular Weight166.18 g/mol
Exact Mass166.05
IUPAC Nameindene-2,2-dicarbonitrile
SMILESN#CC1(C#N)C=c2ccccc2=C1
InChIInChI=1S/C11H6N2/c12-7-11(8-13)5-9-3-1-2-4-10(9)6-11/h1-6H
InChIKeyDEHWMKMZSVNZKT-UHFFFAOYSA-N
XLogP0.29
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of indene-2,2-dicarbonitrile?
The IUPAC name of indene-2,2-dicarbonitrile (CID 154029382) is indene-2,2-dicarbonitrile.
What is the SMILES notation for indene-2,2-dicarbonitrile?
The canonical SMILES for indene-2,2-dicarbonitrile is N#CC1(C#N)C=c2ccccc2=C1.
What is the InChIKey of indene-2,2-dicarbonitrile?
The InChIKey is DEHWMKMZSVNZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2/c12-7-11(8-13)5-9-3-1-2-4-10(9)6-11/h1-6H.
What are the key properties of indene-2,2-dicarbonitrile?
indene-2,2-dicarbonitrile has a molecular weight of 166.18 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indene-2,2-dicarbonitrile is sourced from PubChem (CID 154029382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).