7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one

C10H17NO2 — CID 45092420

IUPAC7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1CCC2(CNC(=O)O2)CC1C
InChIInChI=1S/C10H17NO2/c1-7-3-4-10(5-8(7)2)6-11-9(12)13-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyMQSVRNVXXSXGIN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.92
Rot. Bonds

About 7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one

7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 45092420) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID45092420
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1CCC2(CNC(=O)O2)CC1C
InChIInChI=1S/C10H17NO2/c1-7-3-4-10(5-8(7)2)6-11-9(12)13-10/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyMQSVRNVXXSXGIN-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 45092420) is 7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one is CC1CCC2(CNC(=O)O2)CC1C.
What is the InChIKey of 7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is MQSVRNVXXSXGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-3-4-10(5-8(7)2)6-11-9(12)13-10/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 45092420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).