ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate

C10H15NO3 — CID 141323872

IUPACethyl 1-(2-oxoethenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C=C=O)CC1
InChIInChI=1S/C10H15NO3/c1-2-14-10(13)9-3-5-11(6-4-9)7-8-12/h7,9H,2-6H2,1H3
InChIKeyWVLATZZBXHZQSQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.61
Rot. Bonds3

About ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate

ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate (PubChem CID 141323872) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-oxoethenyl)piperidine-4-carboxylate
PubChem CID141323872
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 1-(2-oxoethenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C=C=O)CC1
InChIInChI=1S/C10H15NO3/c1-2-14-10(13)9-3-5-11(6-4-9)7-8-12/h7,9H,2-6H2,1H3
InChIKeyWVLATZZBXHZQSQ-UHFFFAOYSA-N
XLogP0.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-formyloxypiperidine-4-carboxylate
CID 175375218
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-(cyanomethyl)piperidine-4-carboxylate
CID 20754608
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate (CID 141323872) is ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C=C=O)CC1.
What is the InChIKey of ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate?
The InChIKey is WVLATZZBXHZQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-14-10(13)9-3-5-11(6-4-9)7-8-12/h7,9H,2-6H2,1H3.
What are the key properties of ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate?
ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate is sourced from PubChem (CID 141323872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).