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

C17H23NO — CID 176909631

IUPAC7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCCc1ccc(C2=NC3(CCCO3)C(C)(C)C2)cc1
InChIInChI=1S/C17H23NO/c1-4-13-6-8-14(9-7-13)15-12-16(2,3)17(18-15)10-5-11-19-17/h6-9H,4-5,10-12H2,1-3H3
InChIKeyFHIUGQCAHZMHOJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.97
Rot. Bonds2

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

7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909631) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909631
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCCc1ccc(C2=NC3(CCCO3)C(C)(C)C2)cc1
InChIInChI=1S/C17H23NO/c1-4-13-6-8-14(9-7-13)15-12-16(2,3)17(18-15)10-5-11-19-17/h6-9H,4-5,10-12H2,1-3H3
InChIKeyFHIUGQCAHZMHOJ-UHFFFAOYSA-N
XLogP3.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.97
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
4,4-Dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-ol
CID 132819999
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
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-(3-Bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909636
7-(2-Chlorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909637

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909631) is 7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene is CCc1ccc(C2=NC3(CCCO3)C(C)(C)C2)cc1.
What is the InChIKey of 7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is FHIUGQCAHZMHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-13-6-8-14(9-7-13)15-12-16(2,3)17(18-15)10-5-11-19-17/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 257.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).