[2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol

C11H20N4O — CID 121202806

IUPAC[2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol
SMILES[N-]=[N+]=NCCN1CC(CO)C2(CCCC2)C1
InChIInChI=1S/C11H20N4O/c12-14-13-5-6-15-7-10(8-16)11(9-15)3-1-2-4-11/h10,16H,1-9H2
InChIKeyJTCOBJFCSWDCAY-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.78
Rot. Bonds4

About [2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol

[2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol (PubChem CID 121202806) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol
PubChem CID121202806
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol
SMILES[N-]=[N+]=NCCN1CC(CO)C2(CCCC2)C1
InChIInChI=1S/C11H20N4O/c12-14-13-5-6-15-7-10(8-16)11(9-15)3-1-2-4-11/h10,16H,1-9H2
InChIKeyJTCOBJFCSWDCAY-UHFFFAOYSA-N
XLogP1.78
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.78
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)-2-azaspiro[4.4]nonan-4-yl]methanol?
The IUPAC name of [2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol (CID 121202806) is [2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol.
What is the SMILES notation for [2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol?
The canonical SMILES for [2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol is [N-]=[N+]=NCCN1CC(CO)C2(CCCC2)C1.
What is the InChIKey of [2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol?
The InChIKey is JTCOBJFCSWDCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c12-14-13-5-6-15-7-10(8-16)11(9-15)3-1-2-4-11/h10,16H,1-9H2.
What are the key properties of [2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol?
[2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol has a molecular weight of 224.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-azidoethyl)-2-azaspiro[4.4]nonan-4-yl]methanol is sourced from PubChem (CID 121202806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).