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

C17H23NO — CID 176909650

IUPAC2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCc1ccc(C2=NC3(CCC(C)O3)C(C)(C)C2)cc1
InChIInChI=1S/C17H23NO/c1-12-5-7-14(8-6-12)15-11-16(3,4)17(18-15)10-9-13(2)19-17/h5-8,13H,9-11H2,1-4H3
InChIKeyRRSKKRFVPCKBHL-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.11
Rot. Bonds1

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

2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909650) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909650
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCc1ccc(C2=NC3(CCC(C)O3)C(C)(C)C2)cc1
InChIInChI=1S/C17H23NO/c1-12-5-7-14(8-6-12)15-11-16(3,4)17(18-15)10-9-13(2)19-17/h5-8,13H,9-11H2,1-4H3
InChIKeyRRSKKRFVPCKBHL-UHFFFAOYSA-N
XLogP4.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.11
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
5-(4,4-Dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 58318352
1-[4-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)methyl]-5-methoxycyclohepten-1-yl]-N-[2-[4-(4-ethenyl-4-methylheptyl)phenyl]cyclohexen-1-yl]propan-1-imine
CID 91318087
(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
2,9,9-Trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909626
7-(4-Bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909627
7-(4-Chlorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909628
7-(4-Ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909631

Frequently Asked Questions

What is the IUPAC name of 2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909650) is 2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene is Cc1ccc(C2=NC3(CCC(C)O3)C(C)(C)C2)cc1.
What is the InChIKey of 2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is RRSKKRFVPCKBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12-5-7-14(8-6-12)15-11-16(3,4)17(18-15)10-9-13(2)19-17/h5-8,13H,9-11H2,1-4H3.
What are the key properties of 2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
2,9,9-trimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 257.38 g/mol, XLogP of 4.11, 1 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-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).