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

C12H19NO2 — CID 86585127

IUPAC(E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol
SMILESCOC1=CN(C)CC(/C=C/CC(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/b6-4+
InChIKeyMJSWOTLFVNPTBX-GQCTYLIASA-N
MW209.29 g/mol
LogP1.67
Rot. Bonds4

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

(E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol (PubChem CID 86585127) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol.

Molecular Properties

Compound Name(E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol
PubChem CID86585127
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol
SMILESCOC1=CN(C)CC(/C=C/CC(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/b6-4+
InChIKeyMJSWOTLFVNPTBX-GQCTYLIASA-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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Related Compounds

(E)-5-(3-methoxy-1-methyl-2H-pyridin-5-yl)pent-4-en-2-ol
CID 22060170
5-(3-methoxy-1-methyl-2H-pyridin-5-yl)pent-4-en-2-ol
CID 54228043
5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol
CID 66745989
1-[1-(1-hydroxyethyl)-2H-pyridin-5-yl]ethanol
CID 69454317
N,N-Dimethyl-2-aminomethylene-4-methylpheno1
CID 86750154
6-[(Dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
CID 87695720
6-[[Bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
CID 87701023
1-Ethenyl-3-(2-methoxyprop-1-enyl)-5-methyl-2,6-dihydropyridin-2-ol
CID 90929603
(E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-1-ol
CID 139916445
6-(Diethylaminomethylidene)cyclohexa-2,4-dien-1-ol
CID 139972799
6-(Dimethylaminomethylidene)cyclohexa-2,4-dien-1-ol
CID 140371841
ethane;(1E,3Z)-N-ethyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-4-methylhexa-1,3,5-trien-1-amine
CID 142549975

Frequently Asked Questions

What is the IUPAC name of (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol?
The IUPAC name of (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol (CID 86585127) is (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol.
What is the SMILES notation for (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol?
The canonical SMILES for (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol is COC1=CN(C)CC(/C=C/CC(C)O)=C1.
What is the InChIKey of (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol?
The InChIKey is MJSWOTLFVNPTBX-GQCTYLIASA-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/b6-4+.
What are the key properties of (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol?
(E)-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 (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol is sourced from PubChem (CID 86585127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).