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

C8H12N4O2 — CID 121202071

IUPAC1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone
SMILES[N-]=[N+]=NCC(=O)N1CC2COCC2C1
InChIInChI=1S/C8H12N4O2/c9-11-10-1-8(13)12-2-6-4-14-5-7(6)3-12/h6-7H,1-5H2
InChIKeyYFSIULXAPMHZKT-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.40
Rot. Bonds2

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

1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone (PubChem CID 121202071) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone.

Molecular Properties

Compound Name1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone
PubChem CID121202071
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone
SMILES[N-]=[N+]=NCC(=O)N1CC2COCC2C1
InChIInChI=1S/C8H12N4O2/c9-11-10-1-8(13)12-2-6-4-14-5-7(6)3-12/h6-7H,1-5H2
InChIKeyYFSIULXAPMHZKT-UHFFFAOYSA-N
XLogP0.40
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.40
H-Bond Donors ≤ 50
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-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-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-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone?
The IUPAC name of 1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone (CID 121202071) is 1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone.
What is the SMILES notation for 1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone?
The canonical SMILES for 1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone is [N-]=[N+]=NCC(=O)N1CC2COCC2C1.
What is the InChIKey of 1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone?
The InChIKey is YFSIULXAPMHZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-11-10-1-8(13)12-2-6-4-14-5-7(6)3-12/h6-7H,1-5H2.
What are the key properties of 1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone?
1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone has a molecular weight of 196.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-2-azidoethanone is sourced from PubChem (CID 121202071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).