3-methyl-1,4-dihydropyridin-4-ol

C6H9NO — CID 148633520

IUPAC3-methyl-1,4-dihydropyridin-4-ol
SMILESCC1=CNC=CC1O
InChIInChI=1S/C6H9NO/c1-5-4-7-3-2-6(5)8/h2-4,6-8H,1H3
InChIKeyNIPMWAIANAEGTD-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.37
Rot. Bonds

About 3-methyl-1,4-dihydropyridin-4-ol

3-methyl-1,4-dihydropyridin-4-ol (PubChem CID 148633520) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3-methyl-1,4-dihydropyridin-4-ol.

Molecular Properties

Compound Name3-methyl-1,4-dihydropyridin-4-ol
PubChem CID148633520
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3-methyl-1,4-dihydropyridin-4-ol
SMILESCC1=CNC=CC1O
InChIInChI=1S/C6H9NO/c1-5-4-7-3-2-6(5)8/h2-4,6-8H,1H3
InChIKeyNIPMWAIANAEGTD-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-dihydropyridin-4-ol?
The IUPAC name of 3-methyl-1,4-dihydropyridin-4-ol (CID 148633520) is 3-methyl-1,4-dihydropyridin-4-ol.
What is the SMILES notation for 3-methyl-1,4-dihydropyridin-4-ol?
The canonical SMILES for 3-methyl-1,4-dihydropyridin-4-ol is CC1=CNC=CC1O.
What is the InChIKey of 3-methyl-1,4-dihydropyridin-4-ol?
The InChIKey is NIPMWAIANAEGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-4-7-3-2-6(5)8/h2-4,6-8H,1H3.
What are the key properties of 3-methyl-1,4-dihydropyridin-4-ol?
3-methyl-1,4-dihydropyridin-4-ol has a molecular weight of 111.14 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-dihydropyridin-4-ol is sourced from PubChem (CID 148633520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).