7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene

C15H18BrNO — CID 176909636

IUPAC7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1(C)CC(c2cccc(Br)c2)=NC12CCCO2
InChIInChI=1S/C15H18BrNO/c1-14(2)10-13(11-5-3-6-12(16)9-11)17-15(14)7-4-8-18-15/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyUSJDXWMQOULRQX-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.17
Rot. Bonds1

About 7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene

7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909636) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909636
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCC1(C)CC(c2cccc(Br)c2)=NC12CCCO2
InChIInChI=1S/C15H18BrNO/c1-14(2)10-13(11-5-3-6-12(16)9-11)17-15(14)7-4-8-18-15/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyUSJDXWMQOULRQX-UHFFFAOYSA-N
XLogP4.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.17
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
6-(4-Bromophenyl)-2-ethoxy-2,3,4,5-tetrahydropyridine
CID 17958186
2-Ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909624
7-(4-Bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909627
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
7-(4-Bromophenyl)-2-ethyl-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909645

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909636) is 7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene is CC1(C)CC(c2cccc(Br)c2)=NC12CCCO2.
What is the InChIKey of 7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is USJDXWMQOULRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-14(2)10-13(11-5-3-6-12(16)9-11)17-15(14)7-4-8-18-15/h3,5-6,9H,4,7-8,10H2,1-2H3.
What are the key properties of 7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene?
7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 308.22 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).