methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate

C11H15NO2 — CID 13382559

IUPACmethyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
SMILESC=CCC1C=CC(C)=CN1C(=O)OC
InChIInChI=1S/C11H15NO2/c1-4-5-10-7-6-9(2)8-12(10)11(13)14-3/h4,6-8,10H,1,5H2,2-3H3
InChIKeyYDOMDEGGNKCTBF-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.47
Rot. Bonds2

About methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate

methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate (PubChem CID 13382559) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
PubChem CID13382559
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
SMILESC=CCC1C=CC(C)=CN1C(=O)OC
InChIInChI=1S/C11H15NO2/c1-4-5-10-7-6-9(2)8-12(10)11(13)14-3/h4,6-8,10H,1,5H2,2-3H3
InChIKeyYDOMDEGGNKCTBF-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1(2h)-Pyridinecarboxylic acid,2-(2-propenyl)-,methyl ester
CID 13382552
methyl 3-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382558
methyl 3-bromo-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382561
methyl 5-formyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382564
methyl 3-ethyl-1(6H)-pyridinecarboxylate
CID 12565505
methyl 5-(trifluoromethyl)-2H-pyridine-1-carboxylate
CID 58225270
1(2h)-Pyridinecarboxylic acid,5,6-dihydro-2-(2-propenyl)-,methyl ester
CID 11229141
methyl 2-butyl-2H-pyridine-1-carboxylate
CID 12416609
methyl 2-methyl-2H-pyridine-1-carboxylate
CID 12853358
methyl 2-ethylpyridine-1(2H)-carboxylate
CID 12853359
(r,s)-2-Vinyl-2h-pyridine-1-carboxylic acid methyl ester
CID 12853365
Ethyl-1-methoxycarbonyl-4-pyridinium iodide
CID 129655271

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate (CID 13382559) is methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate is C=CCC1C=CC(C)=CN1C(=O)OC.
What is the InChIKey of methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate?
The InChIKey is YDOMDEGGNKCTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-5-10-7-6-9(2)8-12(10)11(13)14-3/h4,6-8,10H,1,5H2,2-3H3.
What are the key properties of methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate?
methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 13382559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).