ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one

C10H19NO3 — CID 144669099

IUPACethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one
SMILESCC.CN1CCC2(CC1=O)OCCO2
InChIInChI=1S/C8H13NO3.C2H6/c1-9-3-2-8(6-7(9)10)11-4-5-12-8;1-2/h2-6H2,1H3;1-2H3
InChIKeyTUDOFVAVDRGCOP-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds

About ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one

ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one (PubChem CID 144669099) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one.

Molecular Properties

Compound Nameethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one
PubChem CID144669099
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one
SMILESCC.CN1CCC2(CC1=O)OCCO2
InChIInChI=1S/C8H13NO3.C2H6/c1-9-3-2-8(6-7(9)10)11-4-5-12-8;1-2/h2-6H2,1H3;1-2H3
InChIKeyTUDOFVAVDRGCOP-UHFFFAOYSA-N
XLogP1.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one?
The IUPAC name of ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one (CID 144669099) is ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one.
What is the SMILES notation for ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one?
The canonical SMILES for ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one is CC.CN1CCC2(CC1=O)OCCO2.
What is the InChIKey of ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one?
The InChIKey is TUDOFVAVDRGCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.C2H6/c1-9-3-2-8(6-7(9)10)11-4-5-12-8;1-2/h2-6H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one?
ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one has a molecular weight of 201.27 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one is sourced from PubChem (CID 144669099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).