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

C12H19NO2 — CID 139916445

IUPAC(E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-1-ol
SMILESCOC1=CN(C)CC(/C=C/CCCO)=C1
InChIInChI=1S/C12H19NO2/c1-13-9-11(6-4-3-5-7-14)8-12(10-13)15-2/h4,6,8,10,14H,3,5,7,9H2,1-2H3/b6-4+
InChIKeyKEQQMIGFNFBSDE-GQCTYLIASA-N
MW209.29 g/mol
LogP1.67
Rot. Bonds5

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

(E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-1-ol (PubChem CID 139916445) 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-1-ol.

Molecular Properties

Compound Name(E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-1-ol
PubChem CID139916445
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-1-ol
SMILESCOC1=CN(C)CC(/C=C/CCCO)=C1
InChIInChI=1S/C12H19NO2/c1-13-9-11(6-4-3-5-7-14)8-12(10-13)15-2/h4,6,8,10,14H,3,5,7,9H2,1-2H3/b6-4+
InChIKeyKEQQMIGFNFBSDE-GQCTYLIASA-N
XLogP1.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-2-ol
CID 66745989
4E-N-methyl-5-(5-methoxy-3-pyridyl)-4-penten-2ol
CID 86585127
6-[(Dibutylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
CID 87695409
6-[(Dipropylamino)methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
CID 87695720
6-(Diethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol
CID 87695748
6-(Dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol
CID 87696699
6-[[Bis(prop-2-enyl)amino]methylidene]-2-methoxycyclohexa-1,3-dien-1-ol
CID 87701023
5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine
CID 151372281
1-methyl-3-[(E)-pent-1-enyl]-5-propan-2-yloxy-2H-pyridine
CID 153897026

Frequently Asked Questions

What is the IUPAC name of (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-1-ol?
The IUPAC name of (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-1-ol (CID 139916445) is (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-1-ol.
What is the SMILES notation for (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-1-ol?
The canonical SMILES for (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-1-ol is COC1=CN(C)CC(/C=C/CCCO)=C1.
What is the InChIKey of (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-1-ol?
The InChIKey is KEQQMIGFNFBSDE-GQCTYLIASA-N. The full InChI is InChI=1S/C12H19NO2/c1-13-9-11(6-4-3-5-7-14)8-12(10-13)15-2/h4,6,8,10,14H,3,5,7,9H2,1-2H3/b6-4+.
What are the key properties of (E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-1-ol?
(E)-5-(5-methoxy-1-methyl-2H-pyridin-3-yl)pent-4-en-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.67, 5 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-1-ol is sourced from PubChem (CID 139916445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).