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

C12H19NO — CID 70255589

IUPAC5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine
SMILESCC/C=C/C1=CN(C)CC(COC)=C1
InChIInChI=1S/C12H19NO/c1-4-5-6-11-7-12(10-14-3)9-13(2)8-11/h5-8H,4,9-10H2,1-3H3/b6-5+
InChIKeyFESJUXVHRPNMRK-AATRIKPKSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds4

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

5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine (PubChem CID 70255589) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine
PubChem CID70255589
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine
SMILESCC/C=C/C1=CN(C)CC(COC)=C1
InChIInChI=1S/C12H19NO/c1-4-5-6-11-7-12(10-14-3)9-13(2)8-11/h5-8H,4,9-10H2,1-3H3/b6-5+
InChIKeyFESJUXVHRPNMRK-AATRIKPKSA-N
XLogP2.35
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 ≤ 52.35
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-(methoxymethyl)-1-methyl-2H-pyridine?
The IUPAC name of 5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine (CID 70255589) is 5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine.
What is the SMILES notation for 5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine?
The canonical SMILES for 5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine is CC/C=C/C1=CN(C)CC(COC)=C1.
What is the InChIKey of 5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine?
The InChIKey is FESJUXVHRPNMRK-AATRIKPKSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-6-11-7-12(10-14-3)9-13(2)8-11/h5-8H,4,9-10H2,1-3H3/b6-5+.
What are the key properties of 5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine?
5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine has a molecular weight of 193.29 g/mol, XLogP of 2.35, 4 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-(methoxymethyl)-1-methyl-2H-pyridine is sourced from PubChem (CID 70255589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).