1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one

C12H18N4O2 — CID 165483185

IUPAC1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one
SMILES[N-]=[N+]=NCC1OC(=O)CC12CCN(C1CC1)CC2
InChIInChI=1S/C12H18N4O2/c13-15-14-8-10-12(7-11(17)18-10)3-5-16(6-4-12)9-1-2-9/h9-10H,1-8H2
InChIKeyXHDFJJLAEAHEGA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.86
Rot. Bonds3

About 1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one

1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one (PubChem CID 165483185) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one
PubChem CID165483185
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one
SMILES[N-]=[N+]=NCC1OC(=O)CC12CCN(C1CC1)CC2
InChIInChI=1S/C12H18N4O2/c13-15-14-8-10-12(7-11(17)18-10)3-5-16(6-4-12)9-1-2-9/h9-10H,1-8H2
InChIKeyXHDFJJLAEAHEGA-UHFFFAOYSA-N
XLogP1.86
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 165457325
CID 165457325
CID 165528354
CID 165528354
CID 165528356
CID 165528356
CID 165528363
CID 165528363
CID 165540540
CID 165540540
CID 165792306
CID 165792306

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one?
The IUPAC name of 1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one (CID 165483185) is 1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one is [N-]=[N+]=NCC1OC(=O)CC12CCN(C1CC1)CC2.
What is the InChIKey of 1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one?
The InChIKey is XHDFJJLAEAHEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-15-14-8-10-12(7-11(17)18-10)3-5-16(6-4-12)9-1-2-9/h9-10H,1-8H2.
What are the key properties of 1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one?
1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one has a molecular weight of 250.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-8-cyclopropyl-2-oxa-8-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 165483185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).