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

C9H11NO2 — CID 134986100

IUPACethenyl 2-methyl-2H-pyridine-1-carboxylate
SMILESC=COC(=O)N1C=CC=CC1C
InChIInChI=1S/C9H11NO2/c1-3-12-9(11)10-7-5-4-6-8(10)2/h3-8H,1H2,2H3
InChIKeyHTEHULLHNPHYJX-UHFFFAOYSA-N
MW165.19 g/mol
LogP2.04
Rot. Bonds1

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

ethenyl 2-methyl-2H-pyridine-1-carboxylate (PubChem CID 134986100) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is ethenyl 2-methyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethenyl 2-methyl-2H-pyridine-1-carboxylate
PubChem CID134986100
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Nameethenyl 2-methyl-2H-pyridine-1-carboxylate
SMILESC=COC(=O)N1C=CC=CC1C
InChIInChI=1S/C9H11NO2/c1-3-12-9(11)10-7-5-4-6-8(10)2/h3-8H,1H2,2H3
InChIKeyHTEHULLHNPHYJX-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 (2S)-2-(acetyloxymethyl)-2H-pyridine-1-carboxylate
CID 11321791
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
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
ethyl (5aR,9aS)-5a,9a-dihydro-1-benzazepine-1-carboxylate
CID 134892857
ethyl (3aR,7aR)-3a,7a-dihydroindole-1-carboxylate
CID 134915718

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-methyl-2H-pyridine-1-carboxylate?
The IUPAC name of ethenyl 2-methyl-2H-pyridine-1-carboxylate (CID 134986100) is ethenyl 2-methyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethenyl 2-methyl-2H-pyridine-1-carboxylate?
The canonical SMILES for ethenyl 2-methyl-2H-pyridine-1-carboxylate is C=COC(=O)N1C=CC=CC1C.
What is the InChIKey of ethenyl 2-methyl-2H-pyridine-1-carboxylate?
The InChIKey is HTEHULLHNPHYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-12-9(11)10-7-5-4-6-8(10)2/h3-8H,1H2,2H3.
What are the key properties of ethenyl 2-methyl-2H-pyridine-1-carboxylate?
ethenyl 2-methyl-2H-pyridine-1-carboxylate has a molecular weight of 165.19 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-methyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 134986100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).