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

C11H18N2O2 — CID 129498680

IUPAC(3S,3aS,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-VGMNWLOBSA-N
MW210.28 g/mol
LogP0.24
Rot. Bonds2

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

(3S,3aS,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (PubChem CID 129498680) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3S,3aS,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,3aS,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
PubChem CID129498680
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3S,3aS,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-VGMNWLOBSA-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,3aS,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione with MolForge

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Related Compounds

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2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
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(3R,4aR,7S)-3-hydroxy-6-methyl-7-(2-methylpropyl)-1,2,3,4,4a,7-hexahydropyrazino[1,2-b]pyridazine-5,8-dione
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Frequently Asked Questions

What is the IUPAC name of (3S,3aS,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,3aS,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione (CID 129498680) is (3S,3aS,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,3aS,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,3aS,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,3aS,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
The InChIKey is VJNSOCFFOJLHHW-VGMNWLOBSA-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,3aS,6aS)-5-methyl-3-(2-methylpropyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione?
(3S,3aS,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,3aS,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 129498680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).