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

C11H17NO — CID 67602404

IUPAC5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine
SMILESCC/C=C/C1=CN(C)CC(OC)=C1
InChIInChI=1S/C11H17NO/c1-4-5-6-10-7-11(13-3)9-12(2)8-10/h5-8H,4,9H2,1-3H3/b6-5+
InChIKeyUGIMMVGYYMIKND-AATRIKPKSA-N
MW179.26 g/mol
LogP2.31
Rot. Bonds3

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

5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine (PubChem CID 67602404) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine
PubChem CID67602404
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine
SMILESCC/C=C/C1=CN(C)CC(OC)=C1
InChIInChI=1S/C11H17NO/c1-4-5-6-10-7-11(13-3)9-12(2)8-10/h5-8H,4,9H2,1-3H3/b6-5+
InChIKeyUGIMMVGYYMIKND-AATRIKPKSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine?
The IUPAC name of 5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine (CID 67602404) is 5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine.
What is the SMILES notation for 5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine?
The canonical SMILES for 5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine is CC/C=C/C1=CN(C)CC(OC)=C1.
What is the InChIKey of 5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine?
The InChIKey is UGIMMVGYYMIKND-AATRIKPKSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-6-10-7-11(13-3)9-12(2)8-10/h5-8H,4,9H2,1-3H3/b6-5+.
What are the key properties of 5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine?
5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine has a molecular weight of 179.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine is sourced from PubChem (CID 67602404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).