(3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C8H14N4O — CID 129494104

IUPAC(3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILES[N-]=[N+]=NCCN1C[C@@H]2COC[C@H]2C1
InChIInChI=1S/C8H14N4O/c9-11-10-1-2-12-3-7-5-13-6-8(7)4-12/h7-8H,1-6H2/t7-,8-/m1/s1
InChIKeyAZGYYUAENDCWDC-HTQZYQBOSA-N
MW182.23 g/mol
LogP0.87
Rot. Bonds3

About (3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

(3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 129494104) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID129494104
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILES[N-]=[N+]=NCCN1C[C@@H]2COC[C@H]2C1
InChIInChI=1S/C8H14N4O/c9-11-10-1-2-12-3-7-5-13-6-8(7)4-12/h7-8H,1-6H2/t7-,8-/m1/s1
InChIKeyAZGYYUAENDCWDC-HTQZYQBOSA-N
XLogP0.87
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.87
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 (3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole with MolForge

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Related Compounds

5-Ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 118669257
(3aR,6aS)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 126580768
(3aR,6aS)-5-methanidyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 57868095
5-Methanidyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 76646709
5-(2-azidoethyl)hexahydro-1H-furo[3,4-c]pyrrole
CID 121202038
2-azido-1-(tetrahydro-1H-furo[3,4-c]pyrrol-5(3H)-yl)ethan-1-one
CID 121202071
1-(2-Azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine
CID 121202630
(3aS,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 129494109
(3aS,6aS)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 129494110
(3R,4S)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine
CID 129498338
(3S,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine
CID 129498344
(3R,4R)-1-(2-azidoethyl)-3-(ethoxymethyl)-4-methylpyrrolidine
CID 129498347

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of (3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 129494104) is (3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is [N-]=[N+]=NCCN1C[C@@H]2COC[C@H]2C1.
What is the InChIKey of (3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is AZGYYUAENDCWDC-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14N4O/c9-11-10-1-2-12-3-7-5-13-6-8(7)4-12/h7-8H,1-6H2/t7-,8-/m1/s1.
What are the key properties of (3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
(3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 182.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 129494104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).