1,4-dioxa-9-azaspiro[4.6]undecan-10-one

C8H13NO3 — CID 146591450

IUPAC1,4-dioxa-9-azaspiro[4.6]undecan-10-one
SMILESO=C1CC2(CCCN1)OCCO2
InChIInChI=1S/C8H13NO3/c10-7-6-8(2-1-3-9-7)11-4-5-12-8/h1-6H2,(H,9,10)
InChIKeyXBLTXBOCVLOBHM-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.03
Rot. Bonds

About 1,4-dioxa-9-azaspiro[4.6]undecan-10-one

1,4-dioxa-9-azaspiro[4.6]undecan-10-one (PubChem CID 146591450) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1,4-dioxa-9-azaspiro[4.6]undecan-10-one.

Molecular Properties

Compound Name1,4-dioxa-9-azaspiro[4.6]undecan-10-one
PubChem CID146591450
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1,4-dioxa-9-azaspiro[4.6]undecan-10-one
SMILESO=C1CC2(CCCN1)OCCO2
InChIInChI=1S/C8H13NO3/c10-7-6-8(2-1-3-9-7)11-4-5-12-8/h1-6H2,(H,9,10)
InChIKeyXBLTXBOCVLOBHM-UHFFFAOYSA-N
XLogP0.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane-2,4-dione
CID 58382565
1,4-dioxaspiro[4.5]decan-7-ylidenemethanone
CID 141171885
9,12-dioxa-3-azadispiro[4.2.48.25]tetradecan-4-one
CID 58230108
1,4,9-trioxa-12-azadispiro[4.2.58.25]pentadecan-13-one
CID 155177031
7-methylidene-1,4-dioxaspiro[4.8]tridecane
CID 10750402
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
6-azaspiro[2.5]octan-7-one;ethane
CID 144760089
3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one
CID 132549867
3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]azepan-2-one
CID 79120079
1,4-dioxaspiro[4.5]decan-8-one
CID 567415
ethane;8-methyl-1,4-dioxa-8-azaspiro[4.5]decan-7-one
CID 144669099
3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane
CID 142351057

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-9-azaspiro[4.6]undecan-10-one?
The IUPAC name of 1,4-dioxa-9-azaspiro[4.6]undecan-10-one (CID 146591450) is 1,4-dioxa-9-azaspiro[4.6]undecan-10-one.
What is the SMILES notation for 1,4-dioxa-9-azaspiro[4.6]undecan-10-one?
The canonical SMILES for 1,4-dioxa-9-azaspiro[4.6]undecan-10-one is O=C1CC2(CCCN1)OCCO2.
What is the InChIKey of 1,4-dioxa-9-azaspiro[4.6]undecan-10-one?
The InChIKey is XBLTXBOCVLOBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7-6-8(2-1-3-9-7)11-4-5-12-8/h1-6H2,(H,9,10).
What are the key properties of 1,4-dioxa-9-azaspiro[4.6]undecan-10-one?
1,4-dioxa-9-azaspiro[4.6]undecan-10-one has a molecular weight of 171.20 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-9-azaspiro[4.6]undecan-10-one is sourced from PubChem (CID 146591450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).