1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile

C7H10N2 — CID 5323985

IUPAC1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile
SMILESCN1CCC=CC1C#N
InChIInChI=1S/C7H10N2/c1-9-5-3-2-4-7(9)6-8/h2,4,7H,3,5H2,1H3
InChIKeyXPGCXCNNIYNUMX-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.77
Rot. Bonds

About 1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile

1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile (PubChem CID 5323985) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile.

Molecular Properties

Compound Name1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile
PubChem CID5323985
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile
SMILESCN1CCC=CC1C#N
InChIInChI=1S/C7H10N2/c1-9-5-3-2-4-7(9)6-8/h2,4,7H,3,5H2,1H3
InChIKeyXPGCXCNNIYNUMX-UHFFFAOYSA-N
XLogP0.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.77
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-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
The IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile (CID 5323985) is 1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile.
What is the SMILES notation for 1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
The canonical SMILES for 1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile is CN1CCC=CC1C#N.
What is the InChIKey of 1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
The InChIKey is XPGCXCNNIYNUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-9-5-3-2-4-7(9)6-8/h2,4,7H,3,5H2,1H3.
What are the key properties of 1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile?
1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile has a molecular weight of 122.17 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-dihydro-2H-pyridine-6-carbonitrile is sourced from PubChem (CID 5323985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).