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

C8H10N2 — CID 166775147

IUPAC3-ethyl-2,3-dihydropyridine-4-carbonitrile
SMILESCCC1CN=CC=C1C#N
InChIInChI=1S/C8H10N2/c1-2-7-6-10-4-3-8(7)5-9/h3-4,7H,2,6H2,1H3
InChIKeyMOBAVKPMDMQCKV-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.55
Rot. Bonds1

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

3-ethyl-2,3-dihydropyridine-4-carbonitrile (PubChem CID 166775147) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-ethyl-2,3-dihydropyridine-4-carbonitrile.

Molecular Properties

Compound Name3-ethyl-2,3-dihydropyridine-4-carbonitrile
PubChem CID166775147
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3-ethyl-2,3-dihydropyridine-4-carbonitrile
SMILESCCC1CN=CC=C1C#N
InChIInChI=1S/C8H10N2/c1-2-7-6-10-4-3-8(7)5-9/h3-4,7H,2,6H2,1H3
InChIKeyMOBAVKPMDMQCKV-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dihydropyridine-4-carbonitrile?
The IUPAC name of 3-ethyl-2,3-dihydropyridine-4-carbonitrile (CID 166775147) is 3-ethyl-2,3-dihydropyridine-4-carbonitrile.
What is the SMILES notation for 3-ethyl-2,3-dihydropyridine-4-carbonitrile?
The canonical SMILES for 3-ethyl-2,3-dihydropyridine-4-carbonitrile is CCC1CN=CC=C1C#N.
What is the InChIKey of 3-ethyl-2,3-dihydropyridine-4-carbonitrile?
The InChIKey is MOBAVKPMDMQCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-7-6-10-4-3-8(7)5-9/h3-4,7H,2,6H2,1H3.
What are the key properties of 3-ethyl-2,3-dihydropyridine-4-carbonitrile?
3-ethyl-2,3-dihydropyridine-4-carbonitrile has a molecular weight of 134.18 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 3-ethyl-2,3-dihydropyridine-4-carbonitrile is sourced from PubChem (CID 166775147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).