2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide

C10H17N3O2 — CID 155683212

IUPAC2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide
SMILESC[C@]12CNC[C@@]1(C)C(=O)N(CC(N)=O)C2
InChIInChI=1S/C10H17N3O2/c1-9-4-12-5-10(9,2)8(15)13(6-9)3-7(11)14/h12H,3-6H2,1-2H3,(H2,11,14)/t9-,10+/m1/s1
InChIKeyXAFMQBYOYMIZRI-ZJUUUORDSA-N
MW211.26 g/mol
LogP-1.07
Rot. Bonds2

About 2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide

2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide (PubChem CID 155683212) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide.

Molecular Properties

Compound Name2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide
PubChem CID155683212
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide
SMILESC[C@]12CNC[C@@]1(C)C(=O)N(CC(N)=O)C2
InChIInChI=1S/C10H17N3O2/c1-9-4-12-5-10(9,2)8(15)13(6-9)3-7(11)14/h12H,3-6H2,1-2H3,(H2,11,14)/t9-,10+/m1/s1
InChIKeyXAFMQBYOYMIZRI-ZJUUUORDSA-N
XLogP-1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide?
The IUPAC name of 2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide (CID 155683212) is 2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide.
What is the SMILES notation for 2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide?
The canonical SMILES for 2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide is C[C@]12CNC[C@@]1(C)C(=O)N(CC(N)=O)C2.
What is the InChIKey of 2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide?
The InChIKey is XAFMQBYOYMIZRI-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-9-4-12-5-10(9,2)8(15)13(6-9)3-7(11)14/h12H,3-6H2,1-2H3,(H2,11,14)/t9-,10+/m1/s1.
What are the key properties of 2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide?
2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide has a molecular weight of 211.26 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-3a,6a-dimethyl-4-oxo-1,2,3,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]acetamide is sourced from PubChem (CID 155683212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).