3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione

C10H16N2O2 — CID 72770415

IUPAC3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC1CNC2C(=O)N(C)C(=O)C2C1C
InChIInChI=1S/C10H16N2O2/c1-5-4-11-8-7(6(5)2)9(13)12(3)10(8)14/h5-8,11H,4H2,1-3H3
InChIKeyNJDAWCWYIADICN-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.15
Rot. Bonds

About 3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione

3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 72770415) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID72770415
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC1CNC2C(=O)N(C)C(=O)C2C1C
InChIInChI=1S/C10H16N2O2/c1-5-4-11-8-7(6(5)2)9(13)12(3)10(8)14/h5-8,11H,4H2,1-3H3
InChIKeyNJDAWCWYIADICN-UHFFFAOYSA-N
XLogP-0.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione with MolForge

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Related Compounds

1,5-dimethyl-1,3-diazinan-2-one
CID 51000285
(3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 129498677
(3S,3aS,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 129498680
5-methyl-3-propan-2-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 121205238
5-methyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 14158887
(2R,6S,8S,10S)-4-methyl-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione;(2S,6R,8R,10S)-4-methyl-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 160896047
(1S,2R,6S,7R)-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 148604993
(3S,3aS,6aS)-5-methyl-3-pentan-3-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 129499318
(1R,2S,6S,7R)-4-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98104406
(7S)-4-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 134858401
9-methyl-4,4-dioxo-4λ6-thia-9-azatricyclo[5.3.0.02,6]decane-8,10-dione
CID 10657019
6-methyl-2,3,4a,7a-tetrahydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
CID 71051194

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione (CID 72770415) is 3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione is CC1CNC2C(=O)N(C)C(=O)C2C1C.
What is the InChIKey of 3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is NJDAWCWYIADICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-4-11-8-7(6(5)2)9(13)12(3)10(8)14/h5-8,11H,4H2,1-3H3.
What are the key properties of 3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione?
3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 196.25 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 72770415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).