1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one

C11H8O3 — CID 10702758

IUPAC1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one
SMILESC=C1C(=O)OC2Oc3ccccc3C12
InChIInChI=1S/C11H8O3/c1-6-9-7-4-2-3-5-8(7)13-11(9)14-10(6)12/h2-5,9,11H,1H2
InChIKeyZXRGSJODNGAUNX-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.60
Rot. Bonds

About 1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one

1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one (PubChem CID 10702758) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one.

Molecular Properties

Compound Name1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one
PubChem CID10702758
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one
SMILESC=C1C(=O)OC2Oc3ccccc3C12
InChIInChI=1S/C11H8O3/c1-6-9-7-4-2-3-5-8(7)13-11(9)14-10(6)12/h2-5,9,11H,1H2
InChIKeyZXRGSJODNGAUNX-UHFFFAOYSA-N
XLogP1.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-methylidene-4H-chromen-2-one
CID 21477201
(4R,5S)-3-methylidene-4-naphthalen-1-yl-5-phenyloxolan-2-one
CID 162213218
1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran
CID 168864925
4-(5-chloro-6-oxocyclohexa-2,4-dien-1-yl)-3-methylidene-4H-chromen-2-one
CID 10424132
2a,7a-dihydro-2H-oxeto[2,3-b][1]benzofuran
CID 19848130
(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine
CID 10534823
(4S,5S)-4-(2-bromophenyl)-5-(2-methoxyphenyl)-3-methylideneoxolan-2-one
CID 166786163
1-methyl-2a,7b-dihydro-1H-cyclobuta[b][1]benzofuran-2-one
CID 11194617
(3aS,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b][1]benzofuran
CID 11298135
(4R,5S)-5-(4-fluorophenyl)-3-methylidene-4-phenyloxolan-2-one
CID 11357655
5-methyl-5H-benzo[d][1,3]benzodioxocin-11-one
CID 70420478
6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one
CID 175058457

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one?
The IUPAC name of 1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one (CID 10702758) is 1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one.
What is the SMILES notation for 1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one?
The canonical SMILES for 1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one is C=C1C(=O)OC2Oc3ccccc3C12.
What is the InChIKey of 1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one?
The InChIKey is ZXRGSJODNGAUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c1-6-9-7-4-2-3-5-8(7)13-11(9)14-10(6)12/h2-5,9,11H,1H2.
What are the key properties of 1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one?
1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one has a molecular weight of 188.18 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-2-one is sourced from PubChem (CID 10702758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).