2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile

C15H19N3 — CID 175730341

IUPAC2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile
SMILESN#CC(C1CCCCC1)N1CC=C2C=CCN=C21
InChIInChI=1S/C15H19N3/c16-11-14(12-5-2-1-3-6-12)18-10-8-13-7-4-9-17-15(13)18/h4,7-8,12,14H,1-3,5-6,9-10H2
InChIKeyBBJOFPMJSDXKQG-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.67
Rot. Bonds2

About 2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile

2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile (PubChem CID 175730341) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile
PubChem CID175730341
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile
SMILESN#CC(C1CCCCC1)N1CC=C2C=CCN=C21
InChIInChI=1S/C15H19N3/c16-11-14(12-5-2-1-3-6-12)18-10-8-13-7-4-9-17-15(13)18/h4,7-8,12,14H,1-3,5-6,9-10H2
InChIKeyBBJOFPMJSDXKQG-UHFFFAOYSA-N
XLogP2.67
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 148793037

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile?
The IUPAC name of 2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile (CID 175730341) is 2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile?
The canonical SMILES for 2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile is N#CC(C1CCCCC1)N1CC=C2C=CCN=C21.
What is the InChIKey of 2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile?
The InChIKey is BBJOFPMJSDXKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-11-14(12-5-2-1-3-6-12)18-10-8-13-7-4-9-17-15(13)18/h4,7-8,12,14H,1-3,5-6,9-10H2.
What are the key properties of 2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile?
2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile has a molecular weight of 241.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile is sourced from PubChem (CID 175730341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).