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

C13H23NO2 — CID 66106138

IUPAC1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one
SMILESCCC1NC(=O)CC12CCOC(C)(CC)C2
InChIInChI=1S/C13H23NO2/c1-4-10-13(8-11(15)14-10)6-7-16-12(3,5-2)9-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyUASLRNHHNLHTQY-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.25
Rot. Bonds2

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

1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one (PubChem CID 66106138) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one
PubChem CID66106138
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one
SMILESCCC1NC(=O)CC12CCOC(C)(CC)C2
InChIInChI=1S/C13H23NO2/c1-4-10-13(8-11(15)14-10)6-7-16-12(3,5-2)9-13/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyUASLRNHHNLHTQY-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one (CID 66106138) is 1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one is CCC1NC(=O)CC12CCOC(C)(CC)C2.
What is the InChIKey of 1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one?
The InChIKey is UASLRNHHNLHTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-10-13(8-11(15)14-10)6-7-16-12(3,5-2)9-13/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one?
1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one has a molecular weight of 225.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diethyl-7-methyl-8-oxa-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66106138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).