3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile

C14H13N3 — CID 11333554

IUPAC3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIInChI=1S/C14H13N3/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11/h1-3,7,9,16-17H,4-6H2
InChIKeyVADZOZAUGGYKFE-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.42
Rot. Bonds1

About 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile (PubChem CID 11333554) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
PubChem CID11333554
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIInChI=1S/C14H13N3/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11/h1-3,7,9,16-17H,4-6H2
InChIKeyVADZOZAUGGYKFE-UHFFFAOYSA-N
XLogP2.42
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile (CID 11333554) is 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile?
The InChIKey is VADZOZAUGGYKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11/h1-3,7,9,16-17H,4-6H2.
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile?
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 11333554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).