6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene

C6H10N2O — CID 126672058

IUPAC6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene
SMILESCC1=NCC2(COC2)N1
InChIInChI=1S/C6H10N2O/c1-5-7-2-6(8-5)3-9-4-6/h2-4H2,1H3,(H,7,8)
InChIKeyUIPMHNBMMZTINJ-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.22
Rot. Bonds

About 6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene

6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene (PubChem CID 126672058) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene.

Molecular Properties

Compound Name6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene
PubChem CID126672058
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene
SMILESCC1=NCC2(COC2)N1
InChIInChI=1S/C6H10N2O/c1-5-7-2-6(8-5)3-9-4-6/h2-4H2,1H3,(H,7,8)
InChIKeyUIPMHNBMMZTINJ-UHFFFAOYSA-N
XLogP-0.22
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene?
The IUPAC name of 6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene (CID 126672058) is 6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene.
What is the SMILES notation for 6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene?
The canonical SMILES for 6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene is CC1=NCC2(COC2)N1.
What is the InChIKey of 6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene?
The InChIKey is UIPMHNBMMZTINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-7-2-6(8-5)3-9-4-6/h2-4H2,1H3,(H,7,8).
What are the key properties of 6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene?
6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene has a molecular weight of 126.16 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxa-5,7-diazaspiro[3.4]oct-6-ene is sourced from PubChem (CID 126672058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).