2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone

C11H18N4O2 — CID 121202821

IUPAC2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone
SMILES[N-]=[N+]=NCC(=O)N1CC(CO)C2(CCCC2)C1
InChIInChI=1S/C11H18N4O2/c12-14-13-5-10(17)15-6-9(7-16)11(8-15)3-1-2-4-11/h9,16H,1-8H2
InChIKeyHATBMZIFAIKERV-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.31
Rot. Bonds3

About 2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone

2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone (PubChem CID 121202821) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone.

Molecular Properties

Compound Name2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone
PubChem CID121202821
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone
SMILES[N-]=[N+]=NCC(=O)N1CC(CO)C2(CCCC2)C1
InChIInChI=1S/C11H18N4O2/c12-14-13-5-10(17)15-6-9(7-16)11(8-15)3-1-2-4-11/h9,16H,1-8H2
InChIKeyHATBMZIFAIKERV-UHFFFAOYSA-N
XLogP1.31
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.31
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-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone?
The IUPAC name of 2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone (CID 121202821) is 2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone.
What is the SMILES notation for 2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone?
The canonical SMILES for 2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone is [N-]=[N+]=NCC(=O)N1CC(CO)C2(CCCC2)C1.
What is the InChIKey of 2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone?
The InChIKey is HATBMZIFAIKERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-14-13-5-10(17)15-6-9(7-16)11(8-15)3-1-2-4-11/h9,16H,1-8H2.
What are the key properties of 2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone?
2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone has a molecular weight of 238.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-[4-(hydroxymethyl)-2-azaspiro[4.4]nonan-2-yl]ethanone is sourced from PubChem (CID 121202821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).