3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione

C8H11NO3 — CID 58760782

IUPAC3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
SMILESCC12CNCC1(C)C(=O)OC2=O
InChIInChI=1S/C8H11NO3/c1-7-3-9-4-8(7,2)6(11)12-5(7)10/h9H,3-4H2,1-2H3
InChIKeyCFSOSTDEMQMEAG-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.31
Rot. Bonds

About 3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione

3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione (PubChem CID 58760782) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
PubChem CID58760782
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
SMILESCC12CNCC1(C)C(=O)OC2=O
InChIInChI=1S/C8H11NO3/c1-7-3-9-4-8(7,2)6(11)12-5(7)10/h9H,3-4H2,1-2H3
InChIKeyCFSOSTDEMQMEAG-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione?
The IUPAC name of 3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione (CID 58760782) is 3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione.
What is the SMILES notation for 3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione?
The canonical SMILES for 3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione is CC12CNCC1(C)C(=O)OC2=O.
What is the InChIKey of 3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione?
The InChIKey is CFSOSTDEMQMEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-7-3-9-4-8(7,2)6(11)12-5(7)10/h9H,3-4H2,1-2H3.
What are the key properties of 3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione?
3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione has a molecular weight of 169.18 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione is sourced from PubChem (CID 58760782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).