2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile

C10H14N2O — CID 89052936

IUPAC2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile
SMILESCC1=CC(C(C)C)=C(C#N)C(O)N1
InChIInChI=1S/C10H14N2O/c1-6(2)8-4-7(3)12-10(13)9(8)5-11/h4,6,10,12-13H,1-3H3
InChIKeyMJXSRQTXNZDXAM-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.29
Rot. Bonds1

About 2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile

2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile (PubChem CID 89052936) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile
PubChem CID89052936
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile
SMILESCC1=CC(C(C)C)=C(C#N)C(O)N1
InChIInChI=1S/C10H14N2O/c1-6(2)8-4-7(3)12-10(13)9(8)5-11/h4,6,10,12-13H,1-3H3
InChIKeyMJXSRQTXNZDXAM-UHFFFAOYSA-N
XLogP1.29
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile (CID 89052936) is 2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile is CC1=CC(C(C)C)=C(C#N)C(O)N1.
What is the InChIKey of 2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile?
The InChIKey is MJXSRQTXNZDXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6(2)8-4-7(3)12-10(13)9(8)5-11/h4,6,10,12-13H,1-3H3.
What are the key properties of 2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile?
2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile has a molecular weight of 178.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methyl-4-propan-2-yl-1,2-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 89052936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).