1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione

C9H13NO3 — CID 10464963

IUPAC1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)C2C(=O)NCCC21
InChIInChI=1S/C9H13NO3/c1-9(2)5-3-4-10-7(11)6(5)8(12)13-9/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeySAYQTOFGGIIYCK-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.07
Rot. Bonds

About 1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione

1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione (PubChem CID 10464963) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione
PubChem CID10464963
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)C2C(=O)NCCC21
InChIInChI=1S/C9H13NO3/c1-9(2)5-3-4-10-7(11)6(5)8(12)13-9/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeySAYQTOFGGIIYCK-UHFFFAOYSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione with MolForge

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Related Compounds

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3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886
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CID 101109651
methyl (4S,4aS,6S,8aR)-1,1,6-trimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-isochromene-4-carboxylate
CID 1426622
(2-oxopyrrolidin-3-yl)azanium
CID 21337749
4,4-dimethyl-7-thia-10-azatricyclo[6.4.0.02,6]dodecan-9-one
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(3R)-3-hydroxypyrrolidin-2-one
CID 641547
3-aminopyrrolidin-2-one
CID 158709416
3-sulfanylpyrrolidin-2-one
CID 19797264
5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-one
CID 130136263

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione (CID 10464963) is 1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione is CC1(C)OC(=O)C2C(=O)NCCC21.
What is the InChIKey of 1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is SAYQTOFGGIIYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-9(2)5-3-4-10-7(11)6(5)8(12)13-9/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione?
1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 183.21 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-5,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 10464963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).