(2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile

C8H12N2 — CID 18664782

IUPAC(2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile
SMILESCC1=CCN(C)[C@@H](C#N)C1
InChIInChI=1S/C8H12N2/c1-7-3-4-10(2)8(5-7)6-9/h3,8H,4-5H2,1-2H3/t8-/m1/s1
InChIKeyYOBFWTYKQOQKQS-MRVPVSSYSA-N
MW136.20 g/mol
LogP1.16
Rot. Bonds

About (2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile

(2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile (PubChem CID 18664782) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile
PubChem CID18664782
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile
SMILESCC1=CCN(C)[C@@H](C#N)C1
InChIInChI=1S/C8H12N2/c1-7-3-4-10(2)8(5-7)6-9/h3,8H,4-5H2,1-2H3/t8-/m1/s1
InChIKeyYOBFWTYKQOQKQS-MRVPVSSYSA-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 (2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile?
The IUPAC name of (2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile (CID 18664782) is (2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile.
What is the SMILES notation for (2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile?
The canonical SMILES for (2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile is CC1=CCN(C)[C@@H](C#N)C1.
What is the InChIKey of (2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile?
The InChIKey is YOBFWTYKQOQKQS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-3-4-10(2)8(5-7)6-9/h3,8H,4-5H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile?
(2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-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 (2R)-1,4-dimethyl-3,6-dihydro-2H-pyridine-2-carbonitrile is sourced from PubChem (CID 18664782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).