(3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

C11H18N2O2 — CID 129498677

IUPAC(3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
SMILESCC(C)C[C@@H]1NC[C@H]2C(=O)N(C)C(=O)[C@@H]12
InChIInChI=1S/C11H18N2O2/c1-6(2)4-8-9-7(5-12-8)10(14)13(3)11(9)15/h6-9,12H,4-5H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyVJNSOCFFOJLHHW-HRDYMLBCSA-N
MW210.28 g/mol
LogP0.24
Rot. Bonds2

About (3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione

(3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 129498677) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name(3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID129498677
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
SMILESCC(C)C[C@@H]1NC[C@H]2C(=O)N(C)C(=O)[C@@H]12
InChIInChI=1S/C11H18N2O2/c1-6(2)4-8-9-7(5-12-8)10(14)13(3)11(9)15/h6-9,12H,4-5H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyVJNSOCFFOJLHHW-HRDYMLBCSA-N
XLogP0.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(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
5-methyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 14158887
3-(3-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83238290
3,4,6-trimethyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione
CID 72770415
[2-(2-methylpropyl)azetidin-3-yl]methanol
CID 105428528
1-methyl-5-(2-methylpropyl)piperazin-2-one
CID 44630637
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 83847633
(3R,4aR,7S)-3-hydroxy-6-methyl-7-(2-methylpropyl)-1,2,3,4,4a,7-hexahydropyrazino[1,2-b]pyridazine-5,8-dione
CID 162845582
(3aS,7aR)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11030173

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The IUPAC name of (3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (CID 129498677) is (3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for (3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for (3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione is CC(C)C[C@@H]1NC[C@H]2C(=O)N(C)C(=O)[C@@H]12.
What is the InChIKey of (3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is VJNSOCFFOJLHHW-HRDYMLBCSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-6(2)4-8-9-7(5-12-8)10(14)13(3)11(9)15/h6-9,12H,4-5H2,1-3H3/t7-,8+,9-/m1/s1.
What are the key properties of (3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
(3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione has a molecular weight of 210.28 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 129498677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).