5-ethyl-1,4-dihydropyridine-2-carbonitrile

C8H10N2 — CID 154965185

IUPAC5-ethyl-1,4-dihydropyridine-2-carbonitrile
SMILESCCC1=CNC(C#N)=CC1
InChIInChI=1S/C8H10N2/c1-2-7-3-4-8(5-9)10-6-7/h4,6,10H,2-3H2,1H3
InChIKeyHCMUVIBUQVZZDV-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.68
Rot. Bonds1

About 5-ethyl-1,4-dihydropyridine-2-carbonitrile

5-ethyl-1,4-dihydropyridine-2-carbonitrile (PubChem CID 154965185) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-ethyl-1,4-dihydropyridine-2-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1,4-dihydropyridine-2-carbonitrile
PubChem CID154965185
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-ethyl-1,4-dihydropyridine-2-carbonitrile
SMILESCCC1=CNC(C#N)=CC1
InChIInChI=1S/C8H10N2/c1-2-7-3-4-8(5-9)10-6-7/h4,6,10H,2-3H2,1H3
InChIKeyHCMUVIBUQVZZDV-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-1,4-dihydropyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4-dihydropyridine-2-carbonitrile?
The IUPAC name of 5-ethyl-1,4-dihydropyridine-2-carbonitrile (CID 154965185) is 5-ethyl-1,4-dihydropyridine-2-carbonitrile.
What is the SMILES notation for 5-ethyl-1,4-dihydropyridine-2-carbonitrile?
The canonical SMILES for 5-ethyl-1,4-dihydropyridine-2-carbonitrile is CCC1=CNC(C#N)=CC1.
What is the InChIKey of 5-ethyl-1,4-dihydropyridine-2-carbonitrile?
The InChIKey is HCMUVIBUQVZZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-7-3-4-8(5-9)10-6-7/h4,6,10H,2-3H2,1H3.
What are the key properties of 5-ethyl-1,4-dihydropyridine-2-carbonitrile?
5-ethyl-1,4-dihydropyridine-2-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4-dihydropyridine-2-carbonitrile is sourced from PubChem (CID 154965185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).