8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one

C14H16N2O2 — CID 15091270

IUPAC8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one
SMILESCC1(C)CC2(CC(c3ccccc3)=NO2)C(=O)N1
InChIInChI=1S/C14H16N2O2/c1-13(2)9-14(12(17)15-13)8-11(16-18-14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,17)
InChIKeyPFBFFBAAZBAVTM-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.85
Rot. Bonds1

About 8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one

8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one (PubChem CID 15091270) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one.

Molecular Properties

Compound Name8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one
PubChem CID15091270
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one
SMILESCC1(C)CC2(CC(c3ccccc3)=NO2)C(=O)N1
InChIInChI=1S/C14H16N2O2/c1-13(2)9-14(12(17)15-13)8-11(16-18-14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,17)
InChIKeyPFBFFBAAZBAVTM-UHFFFAOYSA-N
XLogP1.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one?
The IUPAC name of 8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one (CID 15091270) is 8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one.
What is the SMILES notation for 8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one?
The canonical SMILES for 8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one is CC1(C)CC2(CC(c3ccccc3)=NO2)C(=O)N1.
What is the InChIKey of 8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one?
The InChIKey is PFBFFBAAZBAVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-13(2)9-14(12(17)15-13)8-11(16-18-14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,17).
What are the key properties of 8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one?
8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one has a molecular weight of 244.29 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-6-one is sourced from PubChem (CID 15091270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).