2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene

C22H25NO — CID 176909626

IUPAC2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1CCC2(N=C(c3ccc(-c4ccccc4)cc3)CC2(C)C)O1
InChIInChI=1S/C22H25NO/c1-16-13-14-22(24-16)21(2,3)15-20(23-22)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3
InChIKeyNZXQQEVNBOOVOK-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.47
Rot. Bonds2

About 2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene

2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909626) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909626
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1CCC2(N=C(c3ccc(-c4ccccc4)cc3)CC2(C)C)O1
InChIInChI=1S/C22H25NO/c1-16-13-14-22(24-16)21(2,3)15-20(23-22)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3
InChIKeyNZXQQEVNBOOVOK-UHFFFAOYSA-N
XLogP5.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.47
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
7,10-Bis(4-tert-butylphenyl)-5-ethyl-4-(oxan-2-yl)-2,3,4,5-tetrahydro-1-benzazocine
CID 123855221
5-Methyl-3-[4-(4-propylphenyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 134591231
5-Methoxy-3,3-dimethyl-2-phenyl-3a,4,5,6,7,7a-hexahydroindole
CID 140532715
(6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene
CID 144768171
2-Ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909624
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

Frequently Asked Questions

What is the IUPAC name of 2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909626) is 2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene is CC1CCC2(N=C(c3ccc(-c4ccccc4)cc3)CC2(C)C)O1.
What is the InChIKey of 2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is NZXQQEVNBOOVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-16-13-14-22(24-16)21(2,3)15-20(23-22)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3.
What are the key properties of 2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 319.45 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,9-trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).