5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile

C8H10N2 — CID 164915848

IUPAC5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile
SMILESCC1=C(C)N=C(C#N)CC1
InChIInChI=1S/C8H10N2/c1-6-3-4-8(5-9)10-7(6)2/h3-4H2,1-2H3
InChIKeyXAKUNTIVLLUBCH-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.04
Rot. Bonds

About 5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile

5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile (PubChem CID 164915848) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile
PubChem CID164915848
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile
SMILESCC1=C(C)N=C(C#N)CC1
InChIInChI=1S/C8H10N2/c1-6-3-4-8(5-9)10-7(6)2/h3-4H2,1-2H3
InChIKeyXAKUNTIVLLUBCH-UHFFFAOYSA-N
XLogP2.04
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile?
The IUPAC name of 5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile (CID 164915848) is 5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile is CC1=C(C)N=C(C#N)CC1.
What is the InChIKey of 5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile?
The InChIKey is XAKUNTIVLLUBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-3-4-8(5-9)10-7(6)2/h3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile?
5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3,4-dihydropyridine-2-carbonitrile is sourced from PubChem (CID 164915848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).