11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one

C10H15NO3 — CID 130655238

IUPAC11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one
SMILESCOC1CC2(COC(=O)N2)C12CCC2
InChIInChI=1S/C10H15NO3/c1-13-7-5-10(6-14-8(12)11-10)9(7)3-2-4-9/h7H,2-6H2,1H3,(H,11,12)
InChIKeyKGWABMKCPVEAQS-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.05
Rot. Bonds1

About 11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one

11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one (PubChem CID 130655238) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one.

Molecular Properties

Compound Name11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one
PubChem CID130655238
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one
SMILESCOC1CC2(COC(=O)N2)C12CCC2
InChIInChI=1S/C10H15NO3/c1-13-7-5-10(6-14-8(12)11-10)9(7)3-2-4-9/h7H,2-6H2,1H3,(H,11,12)
InChIKeyKGWABMKCPVEAQS-UHFFFAOYSA-N
XLogP1.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one?
The IUPAC name of 11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one (CID 130655238) is 11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one.
What is the SMILES notation for 11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one?
The canonical SMILES for 11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one is COC1CC2(COC(=O)N2)C12CCC2.
What is the InChIKey of 11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one?
The InChIKey is KGWABMKCPVEAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-13-7-5-10(6-14-8(12)11-10)9(7)3-2-4-9/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one?
11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one has a molecular weight of 197.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-8-oxa-6-azadispiro[3.0.45.24]undecan-7-one is sourced from PubChem (CID 130655238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).