5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol

C12H19NO2 — CID 66745989

IUPAC5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol
SMILESCOC1=CN(C)CC(C=CCC(C)O)=C1
InChIInChI=1S/C12H19NO2/c1-10(14)5-4-6-11-7-12(15-3)9-13(2)8-11/h4,6-7,9-10,14H,5,8H2,1-3H3
InChIKeyMJSWOTLFVNPTBX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.67
Rot. Bonds4

About 5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol

5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol (PubChem CID 66745989) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol
PubChem CID66745989
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol
SMILESCOC1=CN(C)CC(C=CCC(C)O)=C1
InChIInChI=1S/C12H19NO2/c1-10(14)5-4-6-11-7-12(15-3)9-13(2)8-11/h4,6-7,9-10,14H,5,8H2,1-3H3
InChIKeyMJSWOTLFVNPTBX-UHFFFAOYSA-N
XLogP1.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol?
The IUPAC name of 5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol (CID 66745989) is 5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol.
What is the SMILES notation for 5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol?
The canonical SMILES for 5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol is COC1=CN(C)CC(C=CCC(C)O)=C1.
What is the InChIKey of 5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol?
The InChIKey is MJSWOTLFVNPTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(14)5-4-6-11-7-12(15-3)9-13(2)8-11/h4,6-7,9-10,14H,5,8H2,1-3H3.
What are the key properties of 5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol?
5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol is sourced from PubChem (CID 66745989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).