7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one

C8H11NO2 — CID 146783294

IUPAC7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one
SMILESCC1=C(O)C2(CC2C)NC1=O
InChIInChI=1S/C8H11NO2/c1-4-3-8(4)6(10)5(2)7(11)9-8/h4,10H,3H2,1-2H3,(H,9,11)
InChIKeyRUCDPXKEOXFRNR-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.73
Rot. Bonds

About 7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one

7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one (PubChem CID 146783294) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one.

Molecular Properties

Compound Name7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one
PubChem CID146783294
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one
SMILESCC1=C(O)C2(CC2C)NC1=O
InChIInChI=1S/C8H11NO2/c1-4-3-8(4)6(10)5(2)7(11)9-8/h4,10H,3H2,1-2H3,(H,9,11)
InChIKeyRUCDPXKEOXFRNR-UHFFFAOYSA-N
XLogP0.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one?
The IUPAC name of 7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one (CID 146783294) is 7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one.
What is the SMILES notation for 7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one?
The canonical SMILES for 7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one is CC1=C(O)C2(CC2C)NC1=O.
What is the InChIKey of 7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one?
The InChIKey is RUCDPXKEOXFRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-3-8(4)6(10)5(2)7(11)9-8/h4,10H,3H2,1-2H3,(H,9,11).
What are the key properties of 7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one?
7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one has a molecular weight of 153.18 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,6-dimethyl-4-azaspiro[2.4]hept-6-en-5-one is sourced from PubChem (CID 146783294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).