4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one

C12H19NO2 — CID 69255467

IUPAC4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one
SMILESO=C1CC2(CCC3(CCCO3)CC2)CN1
InChIInChI=1S/C12H19NO2/c14-10-8-11(9-13-10)3-5-12(6-4-11)2-1-7-15-12/h1-9H2,(H,13,14)
InChIKeyHZGZUPHOYPCHSA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.62
Rot. Bonds

About 4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one

4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one (PubChem CID 69255467) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one.

Molecular Properties

Compound Name4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one
PubChem CID69255467
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one
SMILESO=C1CC2(CCC3(CCCO3)CC2)CN1
InChIInChI=1S/C12H19NO2/c14-10-8-11(9-13-10)3-5-12(6-4-11)2-1-7-15-12/h1-9H2,(H,13,14)
InChIKeyHZGZUPHOYPCHSA-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one?
The IUPAC name of 4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one (CID 69255467) is 4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one.
What is the SMILES notation for 4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one?
The canonical SMILES for 4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one is O=C1CC2(CCC3(CCCO3)CC2)CN1.
What is the InChIKey of 4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one?
The InChIKey is HZGZUPHOYPCHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-10-8-11(9-13-10)3-5-12(6-4-11)2-1-7-15-12/h1-9H2,(H,13,14).
What are the key properties of 4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one?
4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one has a molecular weight of 209.29 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-11-azadispiro[4.2.48.25]tetradecan-10-one is sourced from PubChem (CID 69255467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).