1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone

C10H17NO3 — CID 90510374

IUPAC1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C10H17NO3/c1-9(12)11-5-3-10(4-6-11)13-7-2-8-14-10/h2-8H2,1H3
InChIKeyMNYXUCPXXICQKF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.76
Rot. Bonds

About 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone

1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 90510374) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone
PubChem CID90510374
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C10H17NO3/c1-9(12)11-5-3-10(4-6-11)13-7-2-8-14-10/h2-8H2,1H3
InChIKeyMNYXUCPXXICQKF-UHFFFAOYSA-N
XLogP0.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone (CID 90510374) is 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone is CC(=O)N1CCC2(CC1)OCCCO2.
What is the InChIKey of 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is MNYXUCPXXICQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-9(12)11-5-3-10(4-6-11)13-7-2-8-14-10/h2-8H2,1H3.
What are the key properties of 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone?
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 199.25 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 90510374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).