5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile

C9H12N2 — CID 134177688

IUPAC5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile
SMILESC=CC1=C(C)NC(C#N)CC1
InChIInChI=1S/C9H12N2/c1-3-8-4-5-9(6-10)11-7(8)2/h3,9,11H,1,4-5H2,2H3
InChIKeyGJNDELPMWJVRMK-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.72
Rot. Bonds1

About 5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile

5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile (PubChem CID 134177688) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile.

Molecular Properties

Compound Name5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile
PubChem CID134177688
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile
SMILESC=CC1=C(C)NC(C#N)CC1
InChIInChI=1S/C9H12N2/c1-3-8-4-5-9(6-10)11-7(8)2/h3,9,11H,1,4-5H2,2H3
InChIKeyGJNDELPMWJVRMK-UHFFFAOYSA-N
XLogP1.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile?
The IUPAC name of 5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile (CID 134177688) is 5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile.
What is the SMILES notation for 5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile?
The canonical SMILES for 5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile is C=CC1=C(C)NC(C#N)CC1.
What is the InChIKey of 5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile?
The InChIKey is GJNDELPMWJVRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-8-4-5-9(6-10)11-7(8)2/h3,9,11H,1,4-5H2,2H3.
What are the key properties of 5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile?
5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile has a molecular weight of 148.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile is sourced from PubChem (CID 134177688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).