5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile

C9H14N2 — CID 13499504

IUPAC5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile
SMILESCCC1=CCC(C#N)N(C)C1
InChIInChI=1S/C9H14N2/c1-3-8-4-5-9(6-10)11(2)7-8/h4,9H,3,5,7H2,1-2H3
InChIKeyDOTOOXHWEGTUTN-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.55
Rot. Bonds1

About 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile

5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile (PubChem CID 13499504) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile
PubChem CID13499504
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile
SMILESCCC1=CCC(C#N)N(C)C1
InChIInChI=1S/C9H14N2/c1-3-8-4-5-9(6-10)11(2)7-8/h4,9H,3,5,7H2,1-2H3
InChIKeyDOTOOXHWEGTUTN-UHFFFAOYSA-N
XLogP1.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Dipropylamino-cyclohex-1-enecarbonitrile
CID 10420539
1,4,5-trimethyl-3,6-dihydro-2H-pyridine-6-carbonitrile
CID 341786
Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
Pyridine, 1,2,5,6-tetrahydro-1,4,6-trimethyl-
CID 23423766
3-Ethyl-1-methyl-1,2,5,6-tetrahydro-2-pyridinecarbonitrile
CID 11829628
2-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
CID 166157359
2-(5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
CID 166157512
2-(1-ethyl-5-fluoro-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
CID 170601939
2-(5-fluoro-1-propyl-3,6-dihydro-2H-pyridin-3-yl)acetonitrile
CID 176920837
1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile;hydrochloride
CID 13070746
4,5-Dimethyl-3,6-dihydropyridine-1,2(2H)-dicarbonitrile
CID 71421802
2-Diethylamino-4,8-dimethyl-3,7-nonadienenitrile
CID 74039330

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile?
The IUPAC name of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile (CID 13499504) is 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile.
What is the SMILES notation for 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile?
The canonical SMILES for 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile is CCC1=CCC(C#N)N(C)C1.
What is the InChIKey of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile?
The InChIKey is DOTOOXHWEGTUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8-4-5-9(6-10)11(2)7-8/h4,9H,3,5,7H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile?
5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile has a molecular weight of 150.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-2-carbonitrile is sourced from PubChem (CID 13499504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).