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

C10H17NO3 — CID 130985542

IUPAC1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one
SMILESCCCC(=O)N1CCC2(C1)OCCO2
InChIInChI=1S/C10H17NO3/c1-2-3-9(12)11-5-4-10(8-11)13-6-7-14-10/h2-8H2,1H3
InChIKeyONAUSDZCUCFBRV-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.76
Rot. Bonds2

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

1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one (PubChem CID 130985542) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one
PubChem CID130985542
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one
SMILESCCCC(=O)N1CCC2(C1)OCCO2
InChIInChI=1S/C10H17NO3/c1-2-3-9(12)11-5-4-10(8-11)13-6-7-14-10/h2-8H2,1H3
InChIKeyONAUSDZCUCFBRV-UHFFFAOYSA-N
XLogP0.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one?
The IUPAC name of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one (CID 130985542) is 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one?
The canonical SMILES for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one is CCCC(=O)N1CCC2(C1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one?
The InChIKey is ONAUSDZCUCFBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-9(12)11-5-4-10(8-11)13-6-7-14-10/h2-8H2,1H3.
What are the key properties of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one?
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one has a molecular weight of 199.25 g/mol, XLogP of 0.76, 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)butan-1-one is sourced from PubChem (CID 130985542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).