(3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one

C12H6O4 — CID 56957647

IUPAC(3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one
SMILESO=C1C=C/C(=C2\C(=O)Oc3ccccc32)O1
InChIInChI=1S/C12H6O4/c13-10-6-5-9(15-10)11-7-3-1-2-4-8(7)16-12(11)14/h1-6H/b11-9+
InChIKeyOAOYCZHRQYZPBA-PKNBQFBNSA-N
MW214.18 g/mol
LogP1.43
Rot. Bonds

About (3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one

(3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one (PubChem CID 56957647) has the molecular formula C12H6O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is (3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one.

Molecular Properties

Compound Name(3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one
PubChem CID56957647
Molecular FormulaC12H6O4
Molecular Weight214.18 g/mol
Exact Mass214.03
IUPAC Name(3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one
SMILESO=C1C=C/C(=C2\C(=O)Oc3ccccc32)O1
InChIInChI=1S/C12H6O4/c13-10-6-5-9(15-10)11-7-3-1-2-4-8(7)16-12(11)14/h1-6H/b11-9+
InChIKeyOAOYCZHRQYZPBA-PKNBQFBNSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343
(5Z)-5-(3-oxo-1-benzothiophen-2-ylidene)furan-2-one
CID 50901765
(3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione
CID 163194275
(3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
CID 90470463
3-sulfonyl-1-benzofuran-2-one
CID 88522853
14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 139199451
3-propylidene-1-benzofuran-2-one
CID 141094787
2-benzofuran-1,3-dione;ethane-1,2-diol;furan-2,5-dione
CID 87580567
ethane;(3E)-3-ethylidene-1-benzofuran-2-one
CID 143284519
(5Z)-5-chromeno[2,3-c]pyridin-5-ylidenechromeno[2,3-c]pyridine
CID 118396540
5-cyclopropylidenefuran-2-one
CID 147169834
9-(2,7-dimethylfluoren-9-ylidene)xanthene
CID 90710576

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one?
The IUPAC name of (3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one (CID 56957647) is (3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one.
What is the SMILES notation for (3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one?
The canonical SMILES for (3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one is O=C1C=C/C(=C2\C(=O)Oc3ccccc32)O1.
What is the InChIKey of (3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one?
The InChIKey is OAOYCZHRQYZPBA-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H6O4/c13-10-6-5-9(15-10)11-7-3-1-2-4-8(7)16-12(11)14/h1-6H/b11-9+.
What are the key properties of (3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one?
(3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one has a molecular weight of 214.18 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one is sourced from PubChem (CID 56957647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).