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

C10H18N4O — CID 121204322

IUPAC[2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILES[N-]=[N+]=NCCN1CC2CCCC2(CO)C1
InChIInChI=1S/C10H18N4O/c11-13-12-4-5-14-6-9-2-1-3-10(9,7-14)8-15/h9,15H,1-8H2
InChIKeyBUNABGWWLQANAR-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.39
Rot. Bonds4

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

[2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (PubChem CID 121204322) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
PubChem CID121204322
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILES[N-]=[N+]=NCCN1CC2CCCC2(CO)C1
InChIInChI=1S/C10H18N4O/c11-13-12-4-5-14-6-9-2-1-3-10(9,7-14)8-15/h9,15H,1-8H2
InChIKeyBUNABGWWLQANAR-UHFFFAOYSA-N
XLogP1.39
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.39
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'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The IUPAC name of [2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (CID 121204322) is [2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The canonical SMILES for [2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is [N-]=[N+]=NCCN1CC2CCCC2(CO)C1.
What is the InChIKey of [2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The InChIKey is BUNABGWWLQANAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c11-13-12-4-5-14-6-9-2-1-3-10(9,7-14)8-15/h9,15H,1-8H2.
What are the key properties of [2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
[2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol has a molecular weight of 210.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-azidoethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 121204322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).