2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile

C8H12N2 — CID 10419239

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile
SMILESCN1CCC=C(CC#N)C1
InChIInChI=1S/C8H12N2/c1-10-6-2-3-8(7-10)4-5-9/h3H,2,4,6-7H2,1H3
InChIKeyFHACSRPFOOZXHH-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.16
Rot. Bonds1

About 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile

2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile (PubChem CID 10419239) 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-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile
PubChem CID10419239
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile
SMILESCN1CCC=C(CC#N)C1
InChIInChI=1S/C8H12N2/c1-10-6-2-3-8(7-10)4-5-9/h3H,2,4,6-7H2,1H3
InChIKeyFHACSRPFOOZXHH-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-5-yl)acetonitrile?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile (CID 10419239) is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile is CN1CCC=C(CC#N)C1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile?
The InChIKey is FHACSRPFOOZXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-6-2-3-8(7-10)4-5-9/h3H,2,4,6-7H2,1H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)acetonitrile?
2-(1-methyl-3,6-dihydro-2H-pyridin-5-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-5-yl)acetonitrile is sourced from PubChem (CID 10419239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).