1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one

C11H17NO4 — CID 155177031

IUPAC1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one
SMILESO=C1NCCOC12CCC1(CC2)OCCO1
InChIInChI=1S/C11H17NO4/c13-9-10(14-6-5-12-9)1-3-11(4-2-10)15-7-8-16-11/h1-8H2,(H,12,13)
InChIKeySYZIATWHSTXMHV-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.19
Rot. Bonds

About 1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one

1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one (PubChem CID 155177031) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one.

Molecular Properties

Compound Name1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one
PubChem CID155177031
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one
SMILESO=C1NCCOC12CCC1(CC2)OCCO1
InChIInChI=1S/C11H17NO4/c13-9-10(14-6-5-12-9)1-3-11(4-2-10)15-7-8-16-11/h1-8H2,(H,12,13)
InChIKeySYZIATWHSTXMHV-UHFFFAOYSA-N
XLogP0.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one?
The IUPAC name of 1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one (CID 155177031) is 1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one.
What is the SMILES notation for 1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one?
The canonical SMILES for 1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one is O=C1NCCOC12CCC1(CC2)OCCO1.
What is the InChIKey of 1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one?
The InChIKey is SYZIATWHSTXMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-9-10(14-6-5-12-9)1-3-11(4-2-10)15-7-8-16-11/h1-8H2,(H,12,13).
What are the key properties of 1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one?
1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one has a molecular weight of 227.26 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one is sourced from PubChem (CID 155177031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).