1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone

C10H16N4O2 — CID 121204347

IUPAC1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone
SMILES[N-]=[N+]=NCC(=O)N1CC2CCCC2(CO)C1
InChIInChI=1S/C10H16N4O2/c11-13-12-4-9(16)14-5-8-2-1-3-10(8,6-14)7-15/h8,15H,1-7H2
InChIKeyOSKQVBOSKROESD-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.92
Rot. Bonds3

About 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone

1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone (PubChem CID 121204347) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone.

Molecular Properties

Compound Name1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone
PubChem CID121204347
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone
SMILES[N-]=[N+]=NCC(=O)N1CC2CCCC2(CO)C1
InChIInChI=1S/C10H16N4O2/c11-13-12-4-9(16)14-5-8-2-1-3-10(8,6-14)7-15/h8,15H,1-7H2
InChIKeyOSKQVBOSKROESD-UHFFFAOYSA-N
XLogP0.92
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone 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 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone?
The IUPAC name of 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone (CID 121204347) is 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone.
What is the SMILES notation for 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone?
The canonical SMILES for 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone is [N-]=[N+]=NCC(=O)N1CC2CCCC2(CO)C1.
What is the InChIKey of 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone?
The InChIKey is OSKQVBOSKROESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-13-12-4-9(16)14-5-8-2-1-3-10(8,6-14)7-15/h8,15H,1-7H2.
What are the key properties of 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone?
1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone has a molecular weight of 224.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-azidoethanone is sourced from PubChem (CID 121204347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).