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

C6H10N2O2 — CID 105428329

IUPAC5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
SMILESCN1C(=O)OCC12CNC2
InChIInChI=1S/C6H10N2O2/c1-8-5(9)10-4-6(8)2-7-3-6/h7H,2-4H2,1H3
InChIKeyHZZMHFUVOIPFOB-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.59
Rot. Bonds

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

5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 105428329) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
PubChem CID105428329
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one
SMILESCN1C(=O)OCC12CNC2
InChIInChI=1S/C6H10N2O2/c1-8-5(9)10-4-6(8)2-7-3-6/h7H,2-4H2,1H3
InChIKeyHZZMHFUVOIPFOB-UHFFFAOYSA-N
XLogP-0.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one (CID 105428329) is 5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one is CN1C(=O)OCC12CNC2.
What is the InChIKey of 5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is HZZMHFUVOIPFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-8-5(9)10-4-6(8)2-7-3-6/h7H,2-4H2,1H3.
What are the key properties of 5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one?
5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 142.16 g/mol, XLogP of -0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxa-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 105428329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).