5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile

C10H16N2 — CID 12581487

IUPAC5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile
SMILESCCC1=CCCN(C)C1(C)C#N
InChIInChI=1S/C10H16N2/c1-4-9-6-5-7-12(3)10(9,2)8-11/h6H,4-5,7H2,1-3H3
InChIKeyOZFAFNSQVUXWPB-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.94
Rot. Bonds1

About 5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile

5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile (PubChem CID 12581487) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile
PubChem CID12581487
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile
SMILESCCC1=CCCN(C)C1(C)C#N
InChIInChI=1S/C10H16N2/c1-4-9-6-5-7-12(3)10(9,2)8-11/h6H,4-5,7H2,1-3H3
InChIKeyOZFAFNSQVUXWPB-UHFFFAOYSA-N
XLogP1.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.94
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-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile?
The IUPAC name of 5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile (CID 12581487) is 5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile.
What is the SMILES notation for 5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile?
The canonical SMILES for 5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile is CCC1=CCCN(C)C1(C)C#N.
What is the InChIKey of 5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile?
The InChIKey is OZFAFNSQVUXWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9-6-5-7-12(3)10(9,2)8-11/h6H,4-5,7H2,1-3H3.
What are the key properties of 5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile?
5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,6-dimethyl-2,3-dihydropyridine-6-carbonitrile is sourced from PubChem (CID 12581487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).