3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one

C11H17NO4 — CID 131160483

IUPAC3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one
SMILESO=C1OCCC1NC1CCC2(C1)OCCO2
InChIInChI=1S/C11H17NO4/c13-10-9(2-4-14-10)12-8-1-3-11(7-8)15-5-6-16-11/h8-9,12H,1-7H2
InChIKeyNTBXWFQMESDNON-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.19
Rot. Bonds2

About 3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one

3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one (PubChem CID 131160483) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one
PubChem CID131160483
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one
SMILESO=C1OCCC1NC1CCC2(C1)OCCO2
InChIInChI=1S/C11H17NO4/c13-10-9(2-4-14-10)12-8-1-3-11(7-8)15-5-6-16-11/h8-9,12H,1-7H2
InChIKeyNTBXWFQMESDNON-UHFFFAOYSA-N
XLogP0.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one?
The IUPAC name of 3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one (CID 131160483) is 3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one?
The canonical SMILES for 3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one is O=C1OCCC1NC1CCC2(C1)OCCO2.
What is the InChIKey of 3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one?
The InChIKey is NTBXWFQMESDNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-10-9(2-4-14-10)12-8-1-3-11(7-8)15-5-6-16-11/h8-9,12H,1-7H2.
What are the key properties of 3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one?
3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one has a molecular weight of 227.26 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.4]nonan-8-ylamino)oxolan-2-one is sourced from PubChem (CID 131160483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).