3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine

C12H19NO — CID 54065066

IUPAC3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine
SMILESCCCC=CC1=CN(C)CC(OC)=C1
InChIInChI=1S/C12H19NO/c1-4-5-6-7-11-8-12(14-3)10-13(2)9-11/h6-9H,4-5,10H2,1-3H3
InChIKeyMCIZIFXHEUFJCF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.70
Rot. Bonds4

About 3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine

3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine (PubChem CID 54065066) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine.

Molecular Properties

Compound Name3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine
PubChem CID54065066
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine
SMILESCCCC=CC1=CN(C)CC(OC)=C1
InChIInChI=1S/C12H19NO/c1-4-5-6-7-11-8-12(14-3)10-13(2)9-11/h6-9H,4-5,10H2,1-3H3
InChIKeyMCIZIFXHEUFJCF-UHFFFAOYSA-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

5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine
CID 166823900
1-[6-[(dimethylamino)methyl]-4-methylidenepyran-2-yl]-N,N-dimethylmethanamine
CID 20690184
(E)-5-(3-methoxy-1-methyl-2H-pyridin-5-yl)pent-4-en-2-ol
CID 22060170
3-Methoxy-1,5-dimethylpyridine-2-thione
CID 23587906
5-(3-methoxy-1-methyl-2H-pyridin-5-yl)pent-4-en-2-ol
CID 54228043
4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 54273935
4-(3-methoxy-1,2-dimethyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57024558
4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57283088
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
5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine
CID 68757725
(E)-4-(3-methoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 70179765

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine?
The IUPAC name of 3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine (CID 54065066) is 3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine.
What is the SMILES notation for 3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine?
The canonical SMILES for 3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine is CCCC=CC1=CN(C)CC(OC)=C1.
What is the InChIKey of 3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine?
The InChIKey is MCIZIFXHEUFJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-6-7-11-8-12(14-3)10-13(2)9-11/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine?
3-methoxy-1-methyl-5-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 3-methoxy-1-methyl-5-pent-1-enyl-2H-pyridine is sourced from PubChem (CID 54065066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).