4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile

C11H16N2 — CID 577148

IUPAC4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile
SMILESCC1=CC(C#N)=NC(CC(C)C)C1
InChIInChI=1S/C11H16N2/c1-8(2)4-10-5-9(3)6-11(7-12)13-10/h6,8,10H,4-5H2,1-3H3
InChIKeyICMNBGDISBUHAJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.72
Rot. Bonds2

About 4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile

4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile (PubChem CID 577148) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile
PubChem CID577148
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile
SMILESCC1=CC(C#N)=NC(CC(C)C)C1
InChIInChI=1S/C11H16N2/c1-8(2)4-10-5-9(3)6-11(7-12)13-10/h6,8,10H,4-5H2,1-3H3
InChIKeyICMNBGDISBUHAJ-UHFFFAOYSA-N
XLogP2.72
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Isocyano-6-methyl-2-(3-methylbutyl)-2,3-dihydropyridine
CID 58137566
4-(1-Cyanopropan-2-yl)-2,3-dihydropyridine-2-carbonitrile
CID 126663675
2,4,6-Trimethyl-2,3-dihydropyridine-3-carbonitrile
CID 129196447
3,4,6-Trimethyl-2-propan-2-yl-2,3-dihydropyridine
CID 134369462
2,4-Dimethyl-2,3-dihydropyridine-6-carbonitrile
CID 143620826
(E)-N-ethyl-2-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)but-2-en-1-imine
CID 166963574
CID 172345347
CID 172345347
5-[(4E)-4-(4-cyanobutylidene)-3-methyl-2,3-dihydropyrrol-5-yl]pentanenitrile
CID 11973867
5-Propan-2-yl-6-propyl-2,3-dihydropyridine
CID 176699137
5-[(4Z)-4-(4-cyanobutylidene)-3-methyl-2,3-dihydropyrrol-5-yl]pentanenitrile
CID 177606651

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile (CID 577148) is 4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile is CC1=CC(C#N)=NC(CC(C)C)C1.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile?
The InChIKey is ICMNBGDISBUHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)4-10-5-9(3)6-11(7-12)13-10/h6,8,10H,4-5H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile?
4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile has a molecular weight of 176.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-2,3-dihydropyridine-6-carbonitrile is sourced from PubChem (CID 577148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).