2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene

C7H11NO — CID 89339907

IUPAC2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene
SMILESCC1=NOC2(C1)CC2C
InChIInChI=1S/C7H11NO/c1-5-3-7(5)4-6(2)8-9-7/h5H,3-4H2,1-2H3
InChIKeyBYMYPBGLYLXMJI-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.56
Rot. Bonds

About 2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene

2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene (PubChem CID 89339907) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene.

Molecular Properties

Compound Name2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene
PubChem CID89339907
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene
SMILESCC1=NOC2(C1)CC2C
InChIInChI=1S/C7H11NO/c1-5-3-7(5)4-6(2)8-9-7/h5H,3-4H2,1-2H3
InChIKeyBYMYPBGLYLXMJI-UHFFFAOYSA-N
XLogP1.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene?
The IUPAC name of 2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene (CID 89339907) is 2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene.
What is the SMILES notation for 2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene?
The canonical SMILES for 2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene is CC1=NOC2(C1)CC2C.
What is the InChIKey of 2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene?
The InChIKey is BYMYPBGLYLXMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-7(5)4-6(2)8-9-7/h5H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene?
2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene has a molecular weight of 125.17 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-oxa-5-azaspiro[2.4]hept-5-ene is sourced from PubChem (CID 89339907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).