methyl 2-ethenyl-2H-pyridine-1-carboxylate

C9H11NO2 — CID 12853365

IUPACmethyl 2-ethenyl-2H-pyridine-1-carboxylate
SMILESC=CC1C=CC=CN1C(=O)OC
InChIInChI=1S/C9H11NO2/c1-3-8-6-4-5-7-10(8)9(11)12-2/h3-8H,1H2,2H3
InChIKeyKCCJDIIPXZCTJE-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.69
Rot. Bonds1

About methyl 2-ethenyl-2H-pyridine-1-carboxylate

methyl 2-ethenyl-2H-pyridine-1-carboxylate (PubChem CID 12853365) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl 2-ethenyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethenyl-2H-pyridine-1-carboxylate
PubChem CID12853365
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl 2-ethenyl-2H-pyridine-1-carboxylate
SMILESC=CC1C=CC=CN1C(=O)OC
InChIInChI=1S/C9H11NO2/c1-3-8-6-4-5-7-10(8)9(11)12-2/h3-8H,1H2,2H3
InChIKeyKCCJDIIPXZCTJE-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.69
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 pyridine-1(2H)-carboxylate
CID 11007981
methyl 3-ethyl-1(6H)-pyridinecarboxylate
CID 12565505
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
methyl 5-methyl-2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382559
Ethyl 2-cyanopyridine-1(2H)-carboxylate
CID 13397701
ethyl 2-hex-1-ynyl-2H-pyridine-1-carboxylate
CID 24813164
Ethyl-1-methoxycarbonyl-4-pyridinium iodide
CID 129655271

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 2-ethenyl-2H-pyridine-1-carboxylate (CID 12853365) is methyl 2-ethenyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 2-ethenyl-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 2-ethenyl-2H-pyridine-1-carboxylate is C=CC1C=CC=CN1C(=O)OC.
What is the InChIKey of methyl 2-ethenyl-2H-pyridine-1-carboxylate?
The InChIKey is KCCJDIIPXZCTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-8-6-4-5-7-10(8)9(11)12-2/h3-8H,1H2,2H3.
What are the key properties of methyl 2-ethenyl-2H-pyridine-1-carboxylate?
methyl 2-ethenyl-2H-pyridine-1-carboxylate has a molecular weight of 165.19 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 12853365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).