5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile

C8H12N2 — CID 89404660

IUPAC5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile
SMILESCCC1=CCC(C#N)NC1
InChIInChI=1S/C8H12N2/c1-2-7-3-4-8(5-9)10-6-7/h3,8,10H,2,4,6H2,1H3
InChIKeyMTGXUHNBCWHAIJ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.21
Rot. Bonds1

About 5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile

5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile (PubChem CID 89404660) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile
PubChem CID89404660
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile
SMILESCCC1=CCC(C#N)NC1
InChIInChI=1S/C8H12N2/c1-2-7-3-4-8(5-9)10-6-7/h3,8,10H,2,4,6H2,1H3
InChIKeyMTGXUHNBCWHAIJ-UHFFFAOYSA-N
XLogP1.21
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 1,2,5,6-tetrahydro-4,6-dimethyl-
CID 23423762
Pyridine, 3-ethyl-1,2,5,6-tetrahydro-6-methyl-
CID 23423764
1,2,3,6-Tetrahydro-2-pyridinecarbonitrile
CID 13191055
2-(1-Cyano-3-methylbut-2-enylamino)-4-methylpent-3-enenitrile
CID 533441
2-(1-Cyano-3-methyl-but-2-enylamino)-succinonitrile
CID 533449
5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile
CID 13499504
1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile
CID 434376
(2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile
CID 18664782
3-Cyano-2,6-dihydro-4-methylpyridine
CID 22913067
4-Methyl-1,2,3,6-tetrahydropyridine-2-carbonitrile
CID 53731587
1,2,3,6-Tetrahydropyridine-4-carbonitrile
CID 55287086
4,6-Dimethyl-1,2,3,6-tetrahydropyridine
CID 55287542

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile?
The IUPAC name of 5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile (CID 89404660) is 5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile.
What is the SMILES notation for 5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile?
The canonical SMILES for 5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile is CCC1=CCC(C#N)NC1.
What is the InChIKey of 5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile?
The InChIKey is MTGXUHNBCWHAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-3-4-8(5-9)10-6-7/h3,8,10H,2,4,6H2,1H3.
What are the key properties of 5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile?
5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile has a molecular weight of 136.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile is sourced from PubChem (CID 89404660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).