ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate

C15H19NO4 — CID 118252885

IUPACethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate
SMILESCCOC(=O)c1coc2c1C(=O)NC1(CCCCC1)C2
InChIInChI=1S/C15H19NO4/c1-2-19-14(18)10-9-20-11-8-15(6-4-3-5-7-15)16-13(17)12(10)11/h9H,2-8H2,1H3,(H,16,17)
InChIKeyMUVHWYJIXANBGI-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.45
Rot. Bonds2

About ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate

ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate (PubChem CID 118252885) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate
PubChem CID118252885
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate
SMILESCCOC(=O)c1coc2c1C(=O)NC1(CCCCC1)C2
InChIInChI=1S/C15H19NO4/c1-2-19-14(18)10-9-20-11-8-15(6-4-3-5-7-15)16-13(17)12(10)11/h9H,2-8H2,1H3,(H,16,17)
InChIKeyMUVHWYJIXANBGI-UHFFFAOYSA-N
XLogP2.45
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate with MolForge

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Related Compounds

ethyl 4-oxo-5,6-dihydrocyclopenta[b]furan-3-carboxylate
CID 43839823
ethyl 5-cyano-5-methyl-4-oxo-6,7-dihydro-1-benzofuran-3-carboxylate
CID 118253114
ethyl 4,4-dimethyl-5H-furo[3,2-e][1,2,3]benzothiadiazole-8-carboxylate
CID 175672825
ethyl 5-(2-methylphenyl)-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]furan-3-carboxylate
CID 177232075
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 4-acetyl-5-methylfuran-3-carboxylate
CID 135057105
ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 824655
ethyl 4-methyl-1-benzofuran-3-carboxylate
CID 175669045
ethane;ethyl 5,6-dihydro-1-benzofuran-3-carboxylate
CID 143659306
diethyl 2-ethoxyfuran-3,4-dicarboxylate
CID 12708714
ethyl 5,7-dihydroxy-4-oxochromene-3-carboxylate
CID 46886209
ethyl 1-methyl-2-oxa-1-azaspiro[4.5]dec-3-ene-4-carboxylate
CID 14974575

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate?
The IUPAC name of ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate (CID 118252885) is ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate.
What is the SMILES notation for ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate?
The canonical SMILES for ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate is CCOC(=O)c1coc2c1C(=O)NC1(CCCCC1)C2.
What is the InChIKey of ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate?
The InChIKey is MUVHWYJIXANBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-14(18)10-9-20-11-8-15(6-4-3-5-7-15)16-13(17)12(10)11/h9H,2-8H2,1H3,(H,16,17).
What are the key properties of ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate?
ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxospiro[5,7-dihydrofuro[3,2-c]pyridine-6,1'-cyclohexane]-3-carboxylate is sourced from PubChem (CID 118252885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).