7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one

C7H11NO3 — CID 146246264

IUPAC7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
SMILESCCN1CC2(COC2)OC1=O
InChIInChI=1S/C7H11NO3/c1-2-8-3-7(4-10-5-7)11-6(8)9/h2-5H2,1H3
InChIKeyHNGDQCNWNHMIOW-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.23
Rot. Bonds1

About 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one

7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one (PubChem CID 146246264) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
PubChem CID146246264
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
SMILESCCN1CC2(COC2)OC1=O
InChIInChI=1S/C7H11NO3/c1-2-8-3-7(4-10-5-7)11-6(8)9/h2-5H2,1H3
InChIKeyHNGDQCNWNHMIOW-UHFFFAOYSA-N
XLogP0.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?
The IUPAC name of 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one (CID 146246264) is 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?
The canonical SMILES for 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one is CCN1CC2(COC2)OC1=O.
What is the InChIKey of 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?
The InChIKey is HNGDQCNWNHMIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-8-3-7(4-10-5-7)11-6(8)9/h2-5H2,1H3.
What are the key properties of 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one?
7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one has a molecular weight of 157.17 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,5-dioxa-7-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 146246264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).