5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine

C12H19NO — CID 151372281

IUPAC5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine
SMILESCCC/C=C/C1=CC(OC)=CN(C)C1
InChIInChI=1S/C12H19NO/c1-4-5-6-7-11-8-12(14-3)10-13(2)9-11/h6-8,10H,4-5,9H2,1-3H3/b7-6+
InChIKeyOQRNXLNVJKEBKU-VOTSOKGWSA-N
MW193.29 g/mol
LogP2.70
Rot. Bonds4

About 5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine

5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine (PubChem CID 151372281) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine
PubChem CID151372281
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine
SMILESCCC/C=C/C1=CC(OC)=CN(C)C1
InChIInChI=1S/C12H19NO/c1-4-5-6-7-11-8-12(14-3)10-13(2)9-11/h6-8,10H,4-5,9H2,1-3H3/b7-6+
InChIKeyOQRNXLNVJKEBKU-VOTSOKGWSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine?
The IUPAC name of 5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine (CID 151372281) is 5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine.
What is the SMILES notation for 5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine?
The canonical SMILES for 5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine is CCC/C=C/C1=CC(OC)=CN(C)C1.
What is the InChIKey of 5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine?
The InChIKey is OQRNXLNVJKEBKU-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-6-7-11-8-12(14-3)10-13(2)9-11/h6-8,10H,4-5,9H2,1-3H3/b7-6+.
What are the key properties of 5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine?
5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine has a molecular weight of 193.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-[(E)-pent-1-enyl]-2H-pyridine is sourced from PubChem (CID 151372281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).