(3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione

C7H6O4 — CID 102162800

IUPAC(3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione
SMILESC=C1C(=O)O[C@@H]2OC(=O)C[C@H]12
InChIInChI=1S/C7H6O4/c1-3-4-2-5(8)10-7(4)11-6(3)9/h4,7H,1-2H2/t4-,7+/m1/s1
InChIKeyPFXADELMYNKQLQ-FBCQKBJTSA-N
MW154.12 g/mol
LogP-0.01
Rot. Bonds

About (3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione

(3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione (PubChem CID 102162800) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is (3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione.

Molecular Properties

Compound Name(3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione
PubChem CID102162800
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name(3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione
SMILESC=C1C(=O)O[C@@H]2OC(=O)C[C@H]12
InChIInChI=1S/C7H6O4/c1-3-4-2-5(8)10-7(4)11-6(3)9/h4,7H,1-2H2/t4-,7+/m1/s1
InChIKeyPFXADELMYNKQLQ-FBCQKBJTSA-N
XLogP-0.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (3aR,6aR)-5-methoxy-2-oxo-3a,6a-dihydro-3H-furo[2,3-b]furan-4-carboxylate
CID 57407493

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione?
The IUPAC name of (3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione (CID 102162800) is (3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione.
What is the SMILES notation for (3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione?
The canonical SMILES for (3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione is C=C1C(=O)O[C@@H]2OC(=O)C[C@H]12.
What is the InChIKey of (3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione?
The InChIKey is PFXADELMYNKQLQ-FBCQKBJTSA-N. The full InChI is InChI=1S/C7H6O4/c1-3-4-2-5(8)10-7(4)11-6(3)9/h4,7H,1-2H2/t4-,7+/m1/s1.
What are the key properties of (3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione?
(3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione has a molecular weight of 154.12 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-4-methylidene-3a,6a-dihydro-3H-furo[2,3-b]furan-2,5-dione is sourced from PubChem (CID 102162800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).