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

C7H8N2 — CID 142862897

IUPAC2-(3,4-dihydropyridin-2-yl)acetonitrile
SMILESN#CCC1=NC=CCC1
InChIInChI=1S/C7H8N2/c8-5-4-7-3-1-2-6-9-7/h2,6H,1,3-4H2
InChIKeyFFDMWZSEUCTQCM-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.65
Rot. Bonds1

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

2-(3,4-dihydropyridin-2-yl)acetonitrile (PubChem CID 142862897) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-(3,4-dihydropyridin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(3,4-dihydropyridin-2-yl)acetonitrile
PubChem CID142862897
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2-(3,4-dihydropyridin-2-yl)acetonitrile
SMILESN#CCC1=NC=CCC1
InChIInChI=1S/C7H8N2/c8-5-4-7-3-1-2-6-9-7/h2,6H,1,3-4H2
InChIKeyFFDMWZSEUCTQCM-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydropyridin-2-yl)acetonitrile?
The IUPAC name of 2-(3,4-dihydropyridin-2-yl)acetonitrile (CID 142862897) is 2-(3,4-dihydropyridin-2-yl)acetonitrile.
What is the SMILES notation for 2-(3,4-dihydropyridin-2-yl)acetonitrile?
The canonical SMILES for 2-(3,4-dihydropyridin-2-yl)acetonitrile is N#CCC1=NC=CCC1.
What is the InChIKey of 2-(3,4-dihydropyridin-2-yl)acetonitrile?
The InChIKey is FFDMWZSEUCTQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c8-5-4-7-3-1-2-6-9-7/h2,6H,1,3-4H2.
What are the key properties of 2-(3,4-dihydropyridin-2-yl)acetonitrile?
2-(3,4-dihydropyridin-2-yl)acetonitrile has a molecular weight of 120.15 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydropyridin-2-yl)acetonitrile is sourced from PubChem (CID 142862897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).