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

C19H17N3 — CID 3102863

IUPAC3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile
SMILESCc1cc2c(cn1)C(CCC#N)(CCC#N)c1ccccc1-2
InChIInChI=1S/C19H17N3/c1-14-12-16-15-6-2-3-7-17(15)19(8-4-10-20,9-5-11-21)18(16)13-22-14/h2-3,6-7,12-13H,4-5,8-9H2,1H3
InChIKeyYBMAKPFODKQUFT-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.26
Rot. Bonds4

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

3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile (PubChem CID 3102863) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile.

Molecular Properties

Compound Name3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile
PubChem CID3102863
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile
SMILESCc1cc2c(cn1)C(CCC#N)(CCC#N)c1ccccc1-2
InChIInChI=1S/C19H17N3/c1-14-12-16-15-6-2-3-7-17(15)19(8-4-10-20,9-5-11-21)18(16)13-22-14/h2-3,6-7,12-13H,4-5,8-9H2,1H3
InChIKeyYBMAKPFODKQUFT-UHFFFAOYSA-N
XLogP4.26
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile?
The IUPAC name of 3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile (CID 3102863) is 3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile.
What is the SMILES notation for 3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile?
The canonical SMILES for 3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile is Cc1cc2c(cn1)C(CCC#N)(CCC#N)c1ccccc1-2.
What is the InChIKey of 3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile?
The InChIKey is YBMAKPFODKQUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-14-12-16-15-6-2-3-7-17(15)19(8-4-10-20,9-5-11-21)18(16)13-22-14/h2-3,6-7,12-13H,4-5,8-9H2,1H3.
What are the key properties of 3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile?
3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile has a molecular weight of 287.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-cyanoethyl)-3-methylindeno[2,1-c]pyridin-9-yl]propanenitrile is sourced from PubChem (CID 3102863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).