3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile

C17H16N2 — CID 12512104

IUPAC3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile
SMILESCc1cc2c(cn1)C(C)(CCC#N)c1ccccc1-2
InChIInChI=1S/C17H16N2/c1-12-10-14-13-6-3-4-7-15(13)17(2,8-5-9-18)16(14)11-19-12/h3-4,6-7,10-11H,5,8H2,1-2H3
InChIKeyBIRCMSTZTPVDKH-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.98
Rot. Bonds2

About 3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile

3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile (PubChem CID 12512104) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile.

Molecular Properties

Compound Name3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile
PubChem CID12512104
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile
SMILESCc1cc2c(cn1)C(C)(CCC#N)c1ccccc1-2
InChIInChI=1S/C17H16N2/c1-12-10-14-13-6-3-4-7-15(13)17(2,8-5-9-18)16(14)11-19-12/h3-4,6-7,10-11H,5,8H2,1-2H3
InChIKeyBIRCMSTZTPVDKH-UHFFFAOYSA-N
XLogP3.98
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile?
The IUPAC name of 3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile (CID 12512104) is 3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile.
What is the SMILES notation for 3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile?
The canonical SMILES for 3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile is Cc1cc2c(cn1)C(C)(CCC#N)c1ccccc1-2.
What is the InChIKey of 3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile?
The InChIKey is BIRCMSTZTPVDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12-10-14-13-6-3-4-7-15(13)17(2,8-5-9-18)16(14)11-19-12/h3-4,6-7,10-11H,5,8H2,1-2H3.
What are the key properties of 3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile?
3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile has a molecular weight of 248.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,9-dimethylindeno[2,1-c]pyridin-9-yl)propanenitrile is sourced from PubChem (CID 12512104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).