4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol

C7H11NO2 — CID 131860380

IUPAC4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol
SMILESCC1=NOC(C)(O)C12CC2
InChIInChI=1S/C7H11NO2/c1-5-7(3-4-7)6(2,9)10-8-5/h9H,3-4H2,1-2H3
InChIKeyREQHVPSCUIFPCE-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.88
Rot. Bonds

About 4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol

4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol (PubChem CID 131860380) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol.

Molecular Properties

Compound Name4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol
PubChem CID131860380
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol
SMILESCC1=NOC(C)(O)C12CC2
InChIInChI=1S/C7H11NO2/c1-5-7(3-4-7)6(2,9)10-8-5/h9H,3-4H2,1-2H3
InChIKeyREQHVPSCUIFPCE-UHFFFAOYSA-N
XLogP0.88
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol?
The IUPAC name of 4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol (CID 131860380) is 4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol.
What is the SMILES notation for 4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol?
The canonical SMILES for 4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol is CC1=NOC(C)(O)C12CC2.
What is the InChIKey of 4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol?
The InChIKey is REQHVPSCUIFPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-7(3-4-7)6(2,9)10-8-5/h9H,3-4H2,1-2H3.
What are the key properties of 4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol?
4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol has a molecular weight of 141.17 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-ol is sourced from PubChem (CID 131860380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).