9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene

C21H23NO — CID 176909649

IUPAC9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1(C)CC(c2ccc(-c3ccccc3)cc2)=NC12CCCO2
InChIInChI=1S/C21H23NO/c1-20(2)15-19(22-21(20)13-6-14-23-21)18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-12H,6,13-15H2,1-2H3
InChIKeyTYYHBLAYAJRVAM-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.08
Rot. Bonds2

About 9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene

9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909649) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909649
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1(C)CC(c2ccc(-c3ccccc3)cc2)=NC12CCCO2
InChIInChI=1S/C21H23NO/c1-20(2)15-19(22-21(20)13-6-14-23-21)18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-12H,6,13-15H2,1-2H3
InChIKeyTYYHBLAYAJRVAM-UHFFFAOYSA-N
XLogP5.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909629
7-(4-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909633
7-(3-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909635
9,9-Dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909642
2-Ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909624
2,9,9-Trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909626
7-(4-Ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909631
9,9-Dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909638
9,9-Dimethyl-7-(4-pentylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909640
7-(4-Butylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909641
9,9-Dimethyl-7-(3-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909643
9,9-Dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909648

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909649) is 9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene is CC1(C)CC(c2ccc(-c3ccccc3)cc2)=NC12CCCO2.
What is the InChIKey of 9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is TYYHBLAYAJRVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-20(2)15-19(22-21(20)13-6-14-23-21)18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-12H,6,13-15H2,1-2H3.
What are the key properties of 9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 305.42 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).