ethyl 2-oxocyclohepta[b]furan-3-carboxylate

C12H10O4 — CID 589812

IUPACethyl 2-oxocyclohepta[b]furan-3-carboxylate
SMILESCCOC(=O)c1c2cccccc-2oc1=O
InChIInChI=1S/C12H10O4/c1-2-15-11(13)10-8-6-4-3-5-7-9(8)16-12(10)14/h3-7H,2H2,1H3
InChIKeyJULPYSSLWYDUIT-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.92
Rot. Bonds2

About ethyl 2-oxocyclohepta[b]furan-3-carboxylate

ethyl 2-oxocyclohepta[b]furan-3-carboxylate (PubChem CID 589812) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is ethyl 2-oxocyclohepta[b]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxocyclohepta[b]furan-3-carboxylate
PubChem CID589812
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Nameethyl 2-oxocyclohepta[b]furan-3-carboxylate
SMILESCCOC(=O)c1c2cccccc-2oc1=O
InChIInChI=1S/C12H10O4/c1-2-15-11(13)10-8-6-4-3-5-7-9(8)16-12(10)14/h3-7H,2H2,1H3
InChIKeyJULPYSSLWYDUIT-UHFFFAOYSA-N
XLogP1.92
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-oxocyclohepta[b]furan-3-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

Lettucenin A
CID 178999
3-(Methoxycarbonyl)-2H-cyclohepta[b]furan-2-one
CID 10081616
Cladobotrin II
CID 10058877
3-acetyl-2H-cyclohepta[b]furan-2-one
CID 5324003
4-Methoxy-5-methyl-6-oxo-2-prop-1-enylpyran-3-carbaldehyde
CID 85106894
ethyl 4-methyl-2-oxo-2H-pyran-6-acetate
CID 21149526
2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester
CID 540084
Dadiixpqssqfmz-uhfffaoysa-
CID 10421521
3-Methyl-cyclohepta[b]furan-2-one
CID 12868284
3-(Methoxycarbonyl)-5-(ethoxycarbonyl)-6-methyl-2-pyrone
CID 13537721
Multiforisin B
CID 10355536
5-Isopropyl-3-(methoxycarbonyl)-2H-cyclohepta(b)furan-2-one
CID 10060462

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxocyclohepta[b]furan-3-carboxylate?
The IUPAC name of ethyl 2-oxocyclohepta[b]furan-3-carboxylate (CID 589812) is ethyl 2-oxocyclohepta[b]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-oxocyclohepta[b]furan-3-carboxylate?
The canonical SMILES for ethyl 2-oxocyclohepta[b]furan-3-carboxylate is CCOC(=O)c1c2cccccc-2oc1=O.
What is the InChIKey of ethyl 2-oxocyclohepta[b]furan-3-carboxylate?
The InChIKey is JULPYSSLWYDUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-2-15-11(13)10-8-6-4-3-5-7-9(8)16-12(10)14/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-oxocyclohepta[b]furan-3-carboxylate?
ethyl 2-oxocyclohepta[b]furan-3-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxocyclohepta[b]furan-3-carboxylate is sourced from PubChem (CID 589812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).