2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one

C8H8O3 — CID 86087523

IUPAC2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one
SMILESC=C1OC2=C(CCCO2)C1=O
InChIInChI=1S/C8H8O3/c1-5-7(9)6-3-2-4-10-8(6)11-5/h1-4H2
InChIKeyPBLOCNXNKAWAMD-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.12
Rot. Bonds

About 2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one

2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one (PubChem CID 86087523) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one.

Molecular Properties

Compound Name2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one
PubChem CID86087523
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one
SMILESC=C1OC2=C(CCCO2)C1=O
InChIInChI=1S/C8H8O3/c1-5-7(9)6-3-2-4-10-8(6)11-5/h1-4H2
InChIKeyPBLOCNXNKAWAMD-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one 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

(3E)-5-methylidene-3-(oxolan-2-ylidene)oxolane-2,4-dione
CID 10442289
5,6-dihydro-4H-furo[2,3-b]pyran-3-one
CID 86087524
(213C)oxolan-2-one
CID 175700736
oxane-2,6-dione;oxolan-2-one
CID 87464853
oxolan-2-one;silver
CID 175854718
oxolan-2-one;yttrium
CID 157257098
3-methylideneoxepan-2-one
CID 13113479
ethane;2-methylideneoxolane
CID 90904497
oxolan-2-one;hydrate;hydrochloride
CID 174376382
3-methylidene-oxacyclotetradecan-2-one
CID 14815029
disodium;oxolan-2-one;sulfate
CID 172781465
3-methylideneoxan-2-one;oxan-2-one
CID 157417419

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one?
The IUPAC name of 2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one (CID 86087523) is 2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one.
What is the SMILES notation for 2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one?
The canonical SMILES for 2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one is C=C1OC2=C(CCCO2)C1=O.
What is the InChIKey of 2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one?
The InChIKey is PBLOCNXNKAWAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-5-7(9)6-3-2-4-10-8(6)11-5/h1-4H2.
What are the key properties of 2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one?
2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one has a molecular weight of 152.15 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5,6-dihydro-4H-furo[2,3-b]pyran-3-one is sourced from PubChem (CID 86087523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).