1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile

C8H12N2 — CID 154447801

IUPAC1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile
SMILESCN1CC=CCC1(C)C#N
InChIInChI=1S/C8H12N2/c1-8(7-9)5-3-4-6-10(8)2/h3-4H,5-6H2,1-2H3
InChIKeySBNGEQBYNJFDDS-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.16
Rot. Bonds

About 1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile

1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile (PubChem CID 154447801) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile.

Molecular Properties

Compound Name1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile
PubChem CID154447801
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile
SMILESCN1CC=CCC1(C)C#N
InChIInChI=1S/C8H12N2/c1-8(7-9)5-3-4-6-10(8)2/h3-4H,5-6H2,1-2H3
InChIKeySBNGEQBYNJFDDS-UHFFFAOYSA-N
XLogP1.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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 1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile?
The IUPAC name of 1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile (CID 154447801) is 1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile.
What is the SMILES notation for 1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile?
The canonical SMILES for 1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile is CN1CC=CCC1(C)C#N.
What is the InChIKey of 1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile?
The InChIKey is SBNGEQBYNJFDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-8(7-9)5-3-4-6-10(8)2/h3-4H,5-6H2,1-2H3.
What are the key properties of 1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile?
1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile has a molecular weight of 136.20 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,5-dihydropyridine-6-carbonitrile is sourced from PubChem (CID 154447801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).