ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate

C12H19NO3 — CID 14974575

IUPACethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate
SMILESCCOC(=O)C1=CON(C)C12CCCCC2
InChIInChI=1S/C12H19NO3/c1-3-15-11(14)10-9-16-13(2)12(10)7-5-4-6-8-12/h9H,3-8H2,1-2H3
InChIKeyOXLFYWSOHSQIEN-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.01
Rot. Bonds2

About ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate

ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate (PubChem CID 14974575) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate
PubChem CID14974575
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate
SMILESCCOC(=O)C1=CON(C)C12CCCCC2
InChIInChI=1S/C12H19NO3/c1-3-15-11(14)10-9-16-13(2)12(10)7-5-4-6-8-12/h9H,3-8H2,1-2H3
InChIKeyOXLFYWSOHSQIEN-UHFFFAOYSA-N
XLogP2.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2,5-dimethyl-4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1H-pyrrole-3-carboxylate
CID 7850080
ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate
CID 7850188
ethyl spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,1'-cyclohexane]-2-carboxylate
CID 143235035
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl 4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate
CID 91639709
ethyl 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoate
CID 81400595
ethyl 2-oxo-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetate
CID 117468926
ethyl 1-methyl-5-[[(1-methylcyclohexyl)amino]methyl]pyrazole-4-carboxylate
CID 116631047
ethyl 2-(1-hydroxycyclononyl)propanoate
CID 15353413
ethyl 1-[(1-hydroxycyclopentyl)methyl]-5-methyltriazole-4-carboxylate
CID 103104950
ethyl 3-amino-4-(1-aminocyclohexyl)benzoate
CID 22669240
ethyl 1-aminospiro[4H-naphthalene-3,1'-cycloheptane]-2-carboxylate
CID 154574156

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate?
The IUPAC name of ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate (CID 14974575) is ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate is CCOC(=O)C1=CON(C)C12CCCCC2.
What is the InChIKey of ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate?
The InChIKey is OXLFYWSOHSQIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-15-11(14)10-9-16-13(2)12(10)7-5-4-6-8-12/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate?
ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate is sourced from PubChem (CID 14974575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).