4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one

C10H13NO2 — CID 142768617

IUPAC4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one
SMILESO=C1NCCC12CCC1(C=C1)OC2
InChIInChI=1S/C10H13NO2/c12-8-9(5-6-11-8)1-2-10(3-4-10)13-7-9/h3-4H,1-2,5-7H2,(H,11,12)
InChIKeyIEBDMFIDYDPLJO-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.61
Rot. Bonds

About 4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one

4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one (PubChem CID 142768617) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one.

Molecular Properties

Compound Name4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one
PubChem CID142768617
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one
SMILESO=C1NCCC12CCC1(C=C1)OC2
InChIInChI=1S/C10H13NO2/c12-8-9(5-6-11-8)1-2-10(3-4-10)13-7-9/h3-4H,1-2,5-7H2,(H,11,12)
InChIKeyIEBDMFIDYDPLJO-UHFFFAOYSA-N
XLogP0.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one?
The IUPAC name of 4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one (CID 142768617) is 4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one.
What is the SMILES notation for 4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one?
The canonical SMILES for 4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one is O=C1NCCC12CCC1(C=C1)OC2.
What is the InChIKey of 4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one?
The InChIKey is IEBDMFIDYDPLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-8-9(5-6-11-8)1-2-10(3-4-10)13-7-9/h3-4H,1-2,5-7H2,(H,11,12).
What are the key properties of 4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one?
4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one has a molecular weight of 179.22 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-8-azadispiro[2.2.46.23]dodec-1-en-7-one is sourced from PubChem (CID 142768617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).