1,4-dioxa-9-azaspiro[4.5]decan-8-one

C7H11NO3 — CID 15183539

IUPAC1,4-dioxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CN1)OCCO2
InChIInChI=1S/C7H11NO3/c9-6-1-2-7(5-8-6)10-3-4-11-7/h1-5H2,(H,8,9)
InChIKeyGVNZCUVZYNBLIC-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.36
Rot. Bonds

About 1,4-dioxa-9-azaspiro[4.5]decan-8-one

1,4-dioxa-9-azaspiro[4.5]decan-8-one (PubChem CID 15183539) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1,4-dioxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name1,4-dioxa-9-azaspiro[4.5]decan-8-one
PubChem CID15183539
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1,4-dioxa-9-azaspiro[4.5]decan-8-one
SMILESO=C1CCC2(CN1)OCCO2
InChIInChI=1S/C7H11NO3/c9-6-1-2-7(5-8-6)10-3-4-11-7/h1-5H2,(H,8,9)
InChIKeyGVNZCUVZYNBLIC-UHFFFAOYSA-N
XLogP-0.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 1,4-dioxa-9-azaspiro[4.5]decan-8-one (CID 15183539) is 1,4-dioxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 1,4-dioxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 1,4-dioxa-9-azaspiro[4.5]decan-8-one is O=C1CCC2(CN1)OCCO2.
What is the InChIKey of 1,4-dioxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is GVNZCUVZYNBLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6-1-2-7(5-8-6)10-3-4-11-7/h1-5H2,(H,8,9).
What are the key properties of 1,4-dioxa-9-azaspiro[4.5]decan-8-one?
1,4-dioxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 157.17 g/mol, XLogP of -0.36, 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[4.5]decan-8-one is sourced from PubChem (CID 15183539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).