2-(2,3-dihydropyridin-4-yl)acetonitrile

C7H8N2 — CID 123602795

IUPAC2-(2,3-dihydropyridin-4-yl)acetonitrile
SMILESN#CCC1=CC=NCC1
InChIInChI=1S/C7H8N2/c8-4-1-7-2-5-9-6-3-7/h2,5H,1,3,6H2
InChIKeyZENXKRWMKVNSTA-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.30
Rot. Bonds1

About 2-(2,3-dihydropyridin-4-yl)acetonitrile

2-(2,3-dihydropyridin-4-yl)acetonitrile (PubChem CID 123602795) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-4-yl)acetonitrile
PubChem CID123602795
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2-(2,3-dihydropyridin-4-yl)acetonitrile
SMILESN#CCC1=CC=NCC1
InChIInChI=1S/C7H8N2/c8-4-1-7-2-5-9-6-3-7/h2,5H,1,3,6H2
InChIKeyZENXKRWMKVNSTA-UHFFFAOYSA-N
XLogP1.30
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydropyridine-4-carbonitrile
CID 130331424
2-(2-Fluoro-6-phosphanyl-2,3-dihydropyridin-4-yl)acetonitrile
CID 166891099
4-Ethyl-2,3-dihydropyridine
CID 54137700
2-(2H-pyrrol-3-yl)acetonitrile
CID 90126892
3-(2,5-Dihydropyridin-3-yl)propanenitrile
CID 123700703
(E)-2-ethyl-4-methyliminobut-2-enenitrile
CID 163224262
4-Methyl-2,3-dihydropyridine-3-carbonitrile
CID 163792828
4-ethyl-3-methyl-2H-pyridine-3-carbonitrile
CID 163833741

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-4-yl)acetonitrile?
The IUPAC name of 2-(2,3-dihydropyridin-4-yl)acetonitrile (CID 123602795) is 2-(2,3-dihydropyridin-4-yl)acetonitrile.
What is the SMILES notation for 2-(2,3-dihydropyridin-4-yl)acetonitrile?
The canonical SMILES for 2-(2,3-dihydropyridin-4-yl)acetonitrile is N#CCC1=CC=NCC1.
What is the InChIKey of 2-(2,3-dihydropyridin-4-yl)acetonitrile?
The InChIKey is ZENXKRWMKVNSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c8-4-1-7-2-5-9-6-3-7/h2,5H,1,3,6H2.
What are the key properties of 2-(2,3-dihydropyridin-4-yl)acetonitrile?
2-(2,3-dihydropyridin-4-yl)acetonitrile has a molecular weight of 120.15 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-4-yl)acetonitrile is sourced from PubChem (CID 123602795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).