4-ethyl-2,5-dihydropyridine-3-carbonitrile

C8H10N2 — CID 91015601

IUPAC4-ethyl-2,5-dihydropyridine-3-carbonitrile
SMILESCCC1=C(C#N)CN=CC1
InChIInChI=1S/C8H10N2/c1-2-7-3-4-10-6-8(7)5-9/h4H,2-3,6H2,1H3
InChIKeyPPMWCICPLBXUMD-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.69
Rot. Bonds1

About 4-ethyl-2,5-dihydropyridine-3-carbonitrile

4-ethyl-2,5-dihydropyridine-3-carbonitrile (PubChem CID 91015601) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-ethyl-2,5-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2,5-dihydropyridine-3-carbonitrile
PubChem CID91015601
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4-ethyl-2,5-dihydropyridine-3-carbonitrile
SMILESCCC1=C(C#N)CN=CC1
InChIInChI=1S/C8H10N2/c1-2-7-3-4-10-6-8(7)5-9/h4H,2-3,6H2,1H3
InChIKeyPPMWCICPLBXUMD-UHFFFAOYSA-N
XLogP1.69
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2,5-dihydropyridine-3-carbonitrile
CID 140007050
(E)-3-methyl-2-(methyliminomethyl)pent-2-enenitrile
CID 142029965

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-dihydropyridine-3-carbonitrile?
The IUPAC name of 4-ethyl-2,5-dihydropyridine-3-carbonitrile (CID 91015601) is 4-ethyl-2,5-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 4-ethyl-2,5-dihydropyridine-3-carbonitrile?
The canonical SMILES for 4-ethyl-2,5-dihydropyridine-3-carbonitrile is CCC1=C(C#N)CN=CC1.
What is the InChIKey of 4-ethyl-2,5-dihydropyridine-3-carbonitrile?
The InChIKey is PPMWCICPLBXUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-7-3-4-10-6-8(7)5-9/h4H,2-3,6H2,1H3.
What are the key properties of 4-ethyl-2,5-dihydropyridine-3-carbonitrile?
4-ethyl-2,5-dihydropyridine-3-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 91015601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).