1,4-dioxa-10-azaspiro[4.6]undecan-8-one

C8H13NO3 — CID 142430356

IUPAC1,4-dioxa-10-azaspiro[4.6]undecan-8-one
SMILESO=C1CCC2(CNC1)OCCO2
InChIInChI=1S/C8H13NO3/c10-7-1-2-8(6-9-5-7)11-3-4-12-8/h9H,1-6H2
InChIKeyQIFXWVHTXABZBW-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.32
Rot. Bonds

About 1,4-dioxa-10-azaspiro[4.6]undecan-8-one

1,4-dioxa-10-azaspiro[4.6]undecan-8-one (PubChem CID 142430356) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1,4-dioxa-10-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name1,4-dioxa-10-azaspiro[4.6]undecan-8-one
PubChem CID142430356
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1,4-dioxa-10-azaspiro[4.6]undecan-8-one
SMILESO=C1CCC2(CNC1)OCCO2
InChIInChI=1S/C8H13NO3/c10-7-1-2-8(6-9-5-7)11-3-4-12-8/h9H,1-6H2
InChIKeyQIFXWVHTXABZBW-UHFFFAOYSA-N
XLogP-0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxaspiro[4.5]decan-8-one
CID 567415
CID 158702371
CID 158702371
9-oxa-1-azaspiro[5.5]undecan-3-one
CID 155894731
1,4-dioxaspiro[4.5]decan-8-ylidenemethanol
CID 10695236
7-sulfanyl-1,4-dioxaspiro[4.5]decan-8-one
CID 87163817
8-cyclobutylidene-1,4-dioxaspiro[4.5]decane
CID 118423720
5,5-dinitrocyclooctan-1-one;9,9-dinitro-1,4-dioxaspiro[4.7]dodecane
CID 159247317
10-but-2-ynyl-1,4-dioxa-9-azaspiro[4.6]undecan-8-one
CID 177206907
1-azaspiro[2.5]octan-6-one
CID 141436270
10-methyl-1,4,11-trioxaspiro[4.9]tetradec-7-en-12-one
CID 73121049
7-methoxy-1,4-dioxaspiro[4.5]decan-8-one
CID 123852944
1,4-dioxa-9-azaspiro[4.6]undecan-10-one
CID 146591450

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-10-azaspiro[4.6]undecan-8-one?
The IUPAC name of 1,4-dioxa-10-azaspiro[4.6]undecan-8-one (CID 142430356) is 1,4-dioxa-10-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for 1,4-dioxa-10-azaspiro[4.6]undecan-8-one?
The canonical SMILES for 1,4-dioxa-10-azaspiro[4.6]undecan-8-one is O=C1CCC2(CNC1)OCCO2.
What is the InChIKey of 1,4-dioxa-10-azaspiro[4.6]undecan-8-one?
The InChIKey is QIFXWVHTXABZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7-1-2-8(6-9-5-7)11-3-4-12-8/h9H,1-6H2.
What are the key properties of 1,4-dioxa-10-azaspiro[4.6]undecan-8-one?
1,4-dioxa-10-azaspiro[4.6]undecan-8-one has a molecular weight of 171.20 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-10-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 142430356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).