5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one

C7H12N2O2 — CID 105430479

IUPAC5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
SMILESCCN1C(=O)OCC12CNC2
InChIInChI=1S/C7H12N2O2/c1-2-9-6(10)11-5-7(9)3-8-4-7/h8H,2-5H2,1H3
InChIKeyZKSXNLCMFOGMES-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.20
Rot. Bonds1

About 5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one

5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 105430479) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
PubChem CID105430479
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
SMILESCCN1C(=O)OCC12CNC2
InChIInChI=1S/C7H12N2O2/c1-2-9-6(10)11-5-7(9)3-8-4-7/h8H,2-5H2,1H3
InChIKeyZKSXNLCMFOGMES-UHFFFAOYSA-N
XLogP-0.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one (CID 105430479) is 5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one is CCN1C(=O)OCC12CNC2.
What is the InChIKey of 5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is ZKSXNLCMFOGMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-9-6(10)11-5-7(9)3-8-4-7/h8H,2-5H2,1H3.
What are the key properties of 5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 156.19 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 105430479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).