1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one

C11H19NO3 — CID 131146716

IUPAC1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC2(C1)OCCO2
InChIInChI=1S/C11H19NO3/c1-9(2)7-10(13)12-4-3-11(8-12)14-5-6-15-11/h9H,3-8H2,1-2H3
InChIKeyNTTPVFXEKSITIO-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.01
Rot. Bonds2

About 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one

1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one (PubChem CID 131146716) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one
PubChem CID131146716
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC2(C1)OCCO2
InChIInChI=1S/C11H19NO3/c1-9(2)7-10(13)12-4-3-11(8-12)14-5-6-15-11/h9H,3-8H2,1-2H3
InChIKeyNTTPVFXEKSITIO-UHFFFAOYSA-N
XLogP1.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one (CID 131146716) is 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCC2(C1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one?
The InChIKey is NTTPVFXEKSITIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(2)7-10(13)12-4-3-11(8-12)14-5-6-15-11/h9H,3-8H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one?
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one has a molecular weight of 213.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one is sourced from PubChem (CID 131146716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).