1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone

C9H16N2O2 — CID 76897398

IUPAC1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2CNCC21
InChIInChI=1S/C9H16N2O2/c1-13-6-9(12)11-3-2-7-4-10-5-8(7)11/h7-8,10H,2-6H2,1H3
InChIKeyZNOBXRWIJZJKNF-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.55
Rot. Bonds2

About 1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone

1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone (PubChem CID 76897398) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone
PubChem CID76897398
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2CNCC21
InChIInChI=1S/C9H16N2O2/c1-13-6-9(12)11-3-2-7-4-10-5-8(7)11/h7-8,10H,2-6H2,1H3
InChIKeyZNOBXRWIJZJKNF-UHFFFAOYSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone 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

1-[(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-methoxyethanone
CID 97378531
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206357
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209323
1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209596
1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209600
1-(4,4-Dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209604
1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 113788432
2-Ethoxy-1-((3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)ethanone
CID 97031342
N-(1,4-dimethylpyrrolidin-3-yl)-2-methoxyacetamide
CID 23557901
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-methoxyethanone
CID 44223028
1-[(3aR,6aR)-5-methanidyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-5-ium-1-yl]ethanone
CID 59704415
1-(5-methanidyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-5-ium-1-yl)ethanone
CID 59704486

Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone (CID 76897398) is 1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone is COCC(=O)N1CCC2CNCC21.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone?
The InChIKey is ZNOBXRWIJZJKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-6-9(12)11-3-2-7-4-10-5-8(7)11/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone?
1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone has a molecular weight of 184.24 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone is sourced from PubChem (CID 76897398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).