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

C9H14N2 — CID 11829628

IUPAC5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile
SMILESCCC1=CCCN(C)C1C#N
InChIInChI=1S/C9H14N2/c1-3-8-5-4-6-11(2)9(8)7-10/h5,9H,3-4,6H2,1-2H3
InChIKeyFCHQFFSFJVQEER-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.55
Rot. Bonds1

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

5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile (PubChem CID 11829628) 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-6-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile
PubChem CID11829628
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile
SMILESCCC1=CCCN(C)C1C#N
InChIInChI=1S/C9H14N2/c1-3-8-5-4-6-11(2)9(8)7-10/h5,9H,3-4,6H2,1-2H3
InChIKeyFCHQFFSFJVQEER-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
The IUPAC name of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile (CID 11829628) is 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile.
What is the SMILES notation for 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
The canonical SMILES for 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile is CCC1=CCCN(C)C1C#N.
What is the InChIKey of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
The InChIKey is FCHQFFSFJVQEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8-5-4-6-11(2)9(8)7-10/h5,9H,3-4,6H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
5-ethyl-1-methyl-3,6-dihydro-2H-pyridine-6-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-6-carbonitrile is sourced from PubChem (CID 11829628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).