ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate

C11H15NO2 — CID 13427483

IUPACethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate
SMILESC=CCC1C=CN(C(=O)OCC)C=C1
InChIInChI=1S/C11H15NO2/c1-3-5-10-6-8-12(9-7-10)11(13)14-4-2/h3,6-10H,1,4-5H2,2H3
InChIKeyARWQREVQUKREOX-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.68
Rot. Bonds3

About ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate

ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate (PubChem CID 13427483) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate
PubChem CID13427483
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate
SMILESC=CCC1C=CN(C(=O)OCC)C=C1
InChIInChI=1S/C11H15NO2/c1-3-5-10-6-8-12(9-7-10)11(13)14-4-2/h3,6-10H,1,4-5H2,2H3
InChIKeyARWQREVQUKREOX-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.68
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(4H)-pyridinecarboxylic acid, ethyl ester
CID 643367
ethyl 4-(1-ethoxycarbonyl-4H-pyridin-4-yl)-4H-pyridine-1-carboxylate
CID 318268
Ethyl 4,4-dimethylpyridine-1-carboxylate
CID 12391526
1-t-Butoxycarbonyl-1,4-dihydro-pyridine
CID 10511789
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester
CID 10997267
methyl 4-methyl-4H-pyridine-1-carboxylate
CID 12220932
ethyl 4-(1-methoxy-1-oxopropan-2-yl)-4H-pyridine-1-carboxylate
CID 13122726
methyl 4-butyl-1(4H)-pyridinecarboxylate
CID 12853361
methyl 4-ethyl-4H-pyridine-1-carboxylate
CID 12853362
methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate
CID 13382555
ethyl 4-cyano-4H-pyridine-1-carboxylate
CID 21781790
methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate
CID 86116559

Frequently Asked Questions

What is the IUPAC name of ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate (CID 13427483) is ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate is C=CCC1C=CN(C(=O)OCC)C=C1.
What is the InChIKey of ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate?
The InChIKey is ARWQREVQUKREOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-5-10-6-8-12(9-7-10)11(13)14-4-2/h3,6-10H,1,4-5H2,2H3.
What are the key properties of ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate?
ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-prop-2-enyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 13427483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).