2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile

C8H12N2 — CID 70060274

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile
SMILESCN1CC=CCC1CC#N
InChIInChI=1S/C8H12N2/c1-10-7-3-2-4-8(10)5-6-9/h2-3,8H,4-5,7H2,1H3
InChIKeyJVDKNQTXJZJAST-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.16
Rot. Bonds1

About 2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile

2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile (PubChem CID 70060274) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile
PubChem CID70060274
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile
SMILESCN1CC=CCC1CC#N
InChIInChI=1S/C8H12N2/c1-10-7-3-2-4-8(10)5-6-9/h2-3,8H,4-5,7H2,1H3
InChIKeyJVDKNQTXJZJAST-UHFFFAOYSA-N
XLogP1.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile (CID 70060274) is 2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile is CN1CC=CCC1CC#N.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile?
The InChIKey is JVDKNQTXJZJAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-7-3-2-4-8(10)5-6-9/h2-3,8H,4-5,7H2,1H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile?
2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile has a molecular weight of 136.20 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)acetonitrile is sourced from PubChem (CID 70060274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).