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

C12H19NO — CID 68757725

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

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

5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine (PubChem CID 68757725) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine
PubChem CID68757725
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine
SMILESCC/C=C/C1=CN(C)CC(OCC)=C1
InChIInChI=1S/C12H19NO/c1-4-6-7-11-8-12(14-5-2)10-13(3)9-11/h6-9H,4-5,10H2,1-3H3/b7-6+
InChIKeySDOOFLIXJQAVFL-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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4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine
CID 12509071
1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine
CID 20690184
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4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
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4-(2-Methylpenta-1,3-dienyl)morpholine
CID 54302356
4-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)but-3-en-1-amine
CID 57268510
4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
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(E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine
CID 67414693
5-[(E)-but-1-enyl]-3-methoxy-1-methyl-2H-pyridine
CID 67602404
(E)-4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 68755854

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine?
The IUPAC name of 5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine (CID 68757725) is 5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine.
What is the SMILES notation for 5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine?
The canonical SMILES for 5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine is CC/C=C/C1=CN(C)CC(OCC)=C1.
What is the InChIKey of 5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine?
The InChIKey is SDOOFLIXJQAVFL-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-6-7-11-8-12(14-5-2)10-13(3)9-11/h6-9H,4-5,10H2,1-3H3/b7-6+.
What are the key properties of 5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine?
5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-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-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine is sourced from PubChem (CID 68757725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).