(3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

C10H16N2O2 — CID 91916029

IUPAC(3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
SMILESCCCN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1
InChIInChI=1S/C10H16N2O2/c1-3-4-12-5-7-8(6-12)10(14)11(2)9(7)13/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyZZBLLYASVHHBPY-OCAPTIKFSA-N
MW196.25 g/mol
LogP-0.06
Rot. Bonds2

About (3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

(3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione (PubChem CID 91916029) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name(3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
PubChem CID91916029
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
SMILESCCCN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1
InChIInChI=1S/C10H16N2O2/c1-3-4-12-5-7-8(6-12)10(14)11(2)9(7)13/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKeyZZBLLYASVHHBPY-OCAPTIKFSA-N
XLogP-0.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The IUPAC name of (3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione (CID 91916029) is (3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione.
What is the SMILES notation for (3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The canonical SMILES for (3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione is CCCN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The InChIKey is ZZBLLYASVHHBPY-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-12-5-7-8(6-12)10(14)11(2)9(7)13/h7-8H,3-6H2,1-2H3/t7-,8+.
What are the key properties of (3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
(3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione has a molecular weight of 196.25 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-methyl-5-propyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione is sourced from PubChem (CID 91916029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).