4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione

C10H15NO3 — CID 83847777

IUPAC4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione
SMILESCC1C2C(=O)OC(=O)C2C(C)(C)N1C
InChIInChI=1S/C10H15NO3/c1-5-6-7(9(13)14-8(6)12)10(2,3)11(5)4/h5-7H,1-4H3
InChIKeyAWWHSDAGYIGDIA-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.41
Rot. Bonds

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

4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione (PubChem CID 83847777) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione
PubChem CID83847777
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione
SMILESCC1C2C(=O)OC(=O)C2C(C)(C)N1C
InChIInChI=1S/C10H15NO3/c1-5-6-7(9(13)14-8(6)12)10(2,3)11(5)4/h5-7H,1-4H3
InChIKeyAWWHSDAGYIGDIA-UHFFFAOYSA-N
XLogP0.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione with MolForge

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Related Compounds

(2S,6R,8S,12R)-1,14-dimethyl-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 97295744
4,7-dimethyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
CID 549393
4,6-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
CID 20681928
(1S,2R,6R,7R,8S,9R)-8,9-dibromo-1-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 124720637
4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone
CID 12717041
1,7-dimethyl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 135209924
(4S)-3,4-dimethyl-1,3-oxazolidine-2,5-dione;(4R)-3,4-dimethyl-1,3-oxazolidine-2,5-dione
CID 161163194
(3S)-1,2,2,3-tetramethylaziridine
CID 153012898
(1R,2S,6R,7S)-10,10-dimethyl-4,9,11-trioxatricyclo[5.5.0.02,6]dodecane-3,5-dione
CID 154715926
3a,4,4a,7a,8,8a-hexahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone;methane;1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
CID 162206832
7,7-dimethyl-4,7a-dihydro-3aH-2-benzofuran-1,3-dione
CID 87977760
(1R,2R,6S,7S)-10-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 10487543

Frequently Asked Questions

What is the IUPAC name of 4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione?
The IUPAC name of 4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione (CID 83847777) is 4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione.
What is the SMILES notation for 4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione?
The canonical SMILES for 4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione is CC1C2C(=O)OC(=O)C2C(C)(C)N1C.
What is the InChIKey of 4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione?
The InChIKey is AWWHSDAGYIGDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5-6-7(9(13)14-8(6)12)10(2,3)11(5)4/h5-7H,1-4H3.
What are the key properties of 4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione?
4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione has a molecular weight of 197.23 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6-tetramethyl-6,6a-dihydro-3aH-furo[3,4-c]pyrrole-1,3-dione is sourced from PubChem (CID 83847777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).