(3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione

C13H8O4 — CID 144910651

IUPAC(3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione
SMILESC=C1OC(=O)c2cc3c(cc21)/C(=C\C)OC3=O
InChIInChI=1S/C13H8O4/c1-3-11-8-4-7-6(2)16-12(14)9(7)5-10(8)13(15)17-11/h3-5H,2H2,1H3/b11-3+
InChIKeyJQPRMQQSMUGRKO-QDEBKDIKSA-N
MW228.20 g/mol
LogP2.36
Rot. Bonds

About (3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione

(3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione (PubChem CID 144910651) has the molecular formula C13H8O4 and a molecular weight of 228.20 g/mol. Its IUPAC name is (3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione.

Molecular Properties

Compound Name(3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione
PubChem CID144910651
Molecular FormulaC13H8O4
Molecular Weight228.20 g/mol
Exact Mass228.04
IUPAC Name(3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione
SMILESC=C1OC(=O)c2cc3c(cc21)/C(=C\C)OC3=O
InChIInChI=1S/C13H8O4/c1-3-11-8-4-7-6(2)16-12(14)9(7)5-10(8)13(15)17-11/h3-5H,2H2,1H3/b11-3+
InChIKeyJQPRMQQSMUGRKO-QDEBKDIKSA-N
XLogP2.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-3-methylidene-2-benzofuran-1-one
CID 118463747
(3Z)-3-ethylidene-5-fluoro-2-benzofuran-1-one
CID 173370903
5-methyl-6-[(6-methyl-1-methylidene-3-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
CID 54291085
3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione
CID 121368252
23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione
CID 123358491
5-[(3-methylidene-1-oxo-2-benzofuran-5-yl)methyl]-2-benzofuran-1,3-dione
CID 156576329
11,11,22,22-tetramethyl-18-methylidene-6,17-dioxahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-2,4(8),9,13,15(19),20-hexaene-5,7,16-trione
CID 161394033
33,43-dimethylidene-8,20,32,44-tetraoxa-49,50,51,52-tetrazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1(48),2,4,6(10),11,13,15,17,22,24,26,28(36),29,34,37,39,41,46-octadecaene-7,9,19,21,31,45-hexone
CID 174099703
6-methylidene-[2]benzofuro[4,5-g][2]benzofuran-1,3,8-trione
CID 134285624
potassium 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 142056050
3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one
CID 162538872
2-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyethyl 3-methylidene-1-oxo-2-benzofuran-5-carboxylate
CID 146653316

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione?
The IUPAC name of (3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione (CID 144910651) is (3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione.
What is the SMILES notation for (3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione?
The canonical SMILES for (3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione is C=C1OC(=O)c2cc3c(cc21)/C(=C\C)OC3=O.
What is the InChIKey of (3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione?
The InChIKey is JQPRMQQSMUGRKO-QDEBKDIKSA-N. The full InChI is InChI=1S/C13H8O4/c1-3-11-8-4-7-6(2)16-12(14)9(7)5-10(8)13(15)17-11/h3-5H,2H2,1H3/b11-3+.
What are the key properties of (3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione?
(3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione has a molecular weight of 228.20 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-5-methylidenefuro[3,4-f][2]benzofuran-1,7-dione is sourced from PubChem (CID 144910651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).