5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol

C11H17NO2 — CID 70473481

IUPAC5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol
SMILESCC(C)=CC1=C(O)C(C)NC=C1CO
InChIInChI=1S/C11H17NO2/c1-7(2)4-10-9(6-13)5-12-8(3)11(10)14/h4-5,8,12-14H,6H2,1-3H3
InChIKeyUBWAMTJEAAROFT-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.63
Rot. Bonds2

About 5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol (PubChem CID 70473481) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol
PubChem CID70473481
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol
SMILESCC(C)=CC1=C(O)C(C)NC=C1CO
InChIInChI=1S/C11H17NO2/c1-7(2)4-10-9(6-13)5-12-8(3)11(10)14/h4-5,8,12-14H,6H2,1-3H3
InChIKeyUBWAMTJEAAROFT-UHFFFAOYSA-N
XLogP1.63
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol (CID 70473481) is 5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol is CC(C)=CC1=C(O)C(C)NC=C1CO.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol?
The InChIKey is UBWAMTJEAAROFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(2)4-10-9(6-13)5-12-8(3)11(10)14/h4-5,8,12-14H,6H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol has a molecular weight of 195.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-(2-methylprop-1-enyl)-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 70473481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).