2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone

C10H16N4O2 — CID 129495570

IUPAC2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
SMILES[N-]=[N+]=NCC(=O)N1C[C@@H](CO)C2(CCC2)C1
InChIInChI=1S/C10H16N4O2/c11-13-12-4-9(16)14-5-8(6-15)10(7-14)2-1-3-10/h8,15H,1-7H2/t8-/m0/s1
InChIKeyBULIPNZHDPNSCS-QMMMGPOBSA-N
MW224.26 g/mol
LogP0.92
Rot. Bonds3

About 2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone

2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone (PubChem CID 129495570) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone.

Molecular Properties

Compound Name2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
PubChem CID129495570
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
SMILES[N-]=[N+]=NCC(=O)N1C[C@@H](CO)C2(CCC2)C1
InChIInChI=1S/C10H16N4O2/c11-13-12-4-9(16)14-5-8(6-15)10(7-14)2-1-3-10/h8,15H,1-7H2/t8-/m0/s1
InChIKeyBULIPNZHDPNSCS-QMMMGPOBSA-N
XLogP0.92
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.92
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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Related Compounds

CID 121202821
CID 121202821
CID 121204347
CID 121204347
CID 121204379
CID 121204379
CID 121204386
CID 121204386
CID 121204387
CID 121204387
CID 121204404
CID 121204404
CID 121204405
CID 121204405
CID 121204429
CID 121204429
CID 129495565
CID 129495565
CID 129496958
CID 129496958
CID 129496959
CID 129496959
CID 129497672
CID 129497672

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The IUPAC name of 2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone (CID 129495570) is 2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone.
What is the SMILES notation for 2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The canonical SMILES for 2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone is [N-]=[N+]=NCC(=O)N1C[C@@H](CO)C2(CCC2)C1.
What is the InChIKey of 2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The InChIKey is BULIPNZHDPNSCS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-13-12-4-9(16)14-5-8(6-15)10(7-14)2-1-3-10/h8,15H,1-7H2/t8-/m0/s1.
What are the key properties of 2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone has a molecular weight of 224.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-[(8S)-8-(hydroxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone is sourced from PubChem (CID 129495570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).