7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one

C6H7NO2 — CID 89405313

IUPAC7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one
SMILESO=C1C=C(O)C2(CC2)N1
InChIInChI=1S/C6H7NO2/c8-4-3-5(9)7-6(4)1-2-6/h3,8H,1-2H2,(H,7,9)
InChIKeyIEAPCCZCHJONJQ-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.09
Rot. Bonds

About 7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one

7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one (PubChem CID 89405313) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one.

Molecular Properties

Compound Name7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one
PubChem CID89405313
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one
SMILESO=C1C=C(O)C2(CC2)N1
InChIInChI=1S/C6H7NO2/c8-4-3-5(9)7-6(4)1-2-6/h3,8H,1-2H2,(H,7,9)
InChIKeyIEAPCCZCHJONJQ-UHFFFAOYSA-N
XLogP0.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one?
The IUPAC name of 7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one (CID 89405313) is 7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one.
What is the SMILES notation for 7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one?
The canonical SMILES for 7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one is O=C1C=C(O)C2(CC2)N1.
What is the InChIKey of 7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one?
The InChIKey is IEAPCCZCHJONJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c8-4-3-5(9)7-6(4)1-2-6/h3,8H,1-2H2,(H,7,9).
What are the key properties of 7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one?
7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one has a molecular weight of 125.13 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-azaspiro[2.4]hept-6-en-5-one is sourced from PubChem (CID 89405313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).