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

C11H18N4O2 — CID 129496959

IUPAC2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
SMILESCOC[C@@H]1CN(C(=O)CN=[N+]=[N-])CC12CCC2
InChIInChI=1S/C11H18N4O2/c1-17-7-9-6-15(10(16)5-13-14-12)8-11(9)3-2-4-11/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyFUKATKRMOLFLCS-VIFPVBQESA-N
MW238.29 g/mol
LogP1.57
Rot. Bonds4

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

2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone (PubChem CID 129496959) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone.

Molecular Properties

Compound Name2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
PubChem CID129496959
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone
SMILESCOC[C@@H]1CN(C(=O)CN=[N+]=[N-])CC12CCC2
InChIInChI=1S/C11H18N4O2/c1-17-7-9-6-15(10(16)5-13-14-12)8-11(9)3-2-4-11/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyFUKATKRMOLFLCS-VIFPVBQESA-N
XLogP1.57
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.57
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The IUPAC name of 2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone (CID 129496959) is 2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone.
What is the SMILES notation for 2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The canonical SMILES for 2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone is COC[C@@H]1CN(C(=O)CN=[N+]=[N-])CC12CCC2.
What is the InChIKey of 2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
The InChIKey is FUKATKRMOLFLCS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-7-9-6-15(10(16)5-13-14-12)8-11(9)3-2-4-11/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of 2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone?
2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone has a molecular weight of 238.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-[(8S)-8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]ethanone is sourced from PubChem (CID 129496959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).