2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol

C10H17NO2 — CID 143519196

IUPAC2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol
SMILESCOC1=C(C)NC(C(C)(C)O)C=C1
InChIInChI=1S/C10H17NO2/c1-7-8(13-4)5-6-9(11-7)10(2,3)12/h5-6,9,11-12H,1-4H3
InChIKeyIKQDAWPHWBHCQU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.16
Rot. Bonds2

About 2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol

2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol (PubChem CID 143519196) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol
PubChem CID143519196
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol
SMILESCOC1=C(C)NC(C(C)(C)O)C=C1
InChIInChI=1S/C10H17NO2/c1-7-8(13-4)5-6-9(11-7)10(2,3)12/h5-6,9,11-12H,1-4H3
InChIKeyIKQDAWPHWBHCQU-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol?
The IUPAC name of 2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol (CID 143519196) is 2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol is COC1=C(C)NC(C(C)(C)O)C=C1.
What is the InChIKey of 2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol?
The InChIKey is IKQDAWPHWBHCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-8(13-4)5-6-9(11-7)10(2,3)12/h5-6,9,11-12H,1-4H3.
What are the key properties of 2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol?
2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-6-methyl-1,2-dihydropyridin-2-yl)propan-2-ol is sourced from PubChem (CID 143519196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).