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

C14H17N3 — CID 148793037

IUPAC3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
SMILESN#CC1CC=c2c(C3CCCCC3)c[nH]c2=N1
InChIInChI=1S/C14H17N3/c15-8-11-6-7-12-13(9-16-14(12)17-11)10-4-2-1-3-5-10/h7,9-11H,1-6H2,(H,16,17)
InChIKeyOMOBBWSJEOAFDU-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.76
Rot. Bonds1

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

3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (PubChem CID 148793037) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
PubChem CID148793037
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
SMILESN#CC1CC=c2c(C3CCCCC3)c[nH]c2=N1
InChIInChI=1S/C14H17N3/c15-8-11-6-7-12-13(9-16-14(12)17-11)10-4-2-1-3-5-10/h7,9-11H,1-6H2,(H,16,17)
InChIKeyOMOBBWSJEOAFDU-UHFFFAOYSA-N
XLogP1.76
TPSA51.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethyl-4,4a,8,8a-tetrahydro-1H-pyrido[2,3-b]indole
CID 71125483
(3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane
CID 142207523
4-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine
CID 144007402
3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;methanamine
CID 144007461
2-Cyclohexyl-2-(2,6-dihydropyrrolo[2,3-b]pyridin-1-yl)acetonitrile
CID 175730341
(3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine
CID 142207524
3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 144007462

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The IUPAC name of 3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile (CID 148793037) is 3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile.
What is the SMILES notation for 3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The canonical SMILES for 3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is N#CC1CC=c2c(C3CCCCC3)c[nH]c2=N1.
What is the InChIKey of 3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
The InChIKey is OMOBBWSJEOAFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-8-11-6-7-12-13(9-16-14(12)17-11)10-4-2-1-3-5-10/h7,9-11H,1-6H2,(H,16,17).
What are the key properties of 3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile?
3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile has a molecular weight of 227.31 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile is sourced from PubChem (CID 148793037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).