8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane

C15H20BrNO — CID 115361972

IUPAC8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane
SMILESBrc1cccc(C2CNCC3(CCCC3)CO2)c1
InChIInChI=1S/C15H20BrNO/c16-13-5-3-4-12(8-13)14-9-17-10-15(11-18-14)6-1-2-7-15/h3-5,8,14,17H,1-2,6-7,9-11H2
InChIKeyAVIMLPZLRFTDFJ-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.67
Rot. Bonds1

About 8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane

8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane (PubChem CID 115361972) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane.

Molecular Properties

Compound Name8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane
PubChem CID115361972
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane
SMILESBrc1cccc(C2CNCC3(CCCC3)CO2)c1
InChIInChI=1S/C15H20BrNO/c16-13-5-3-4-12(8-13)14-9-17-10-15(11-18-14)6-1-2-7-15/h3-5,8,14,17H,1-2,6-7,9-11H2
InChIKeyAVIMLPZLRFTDFJ-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3,4-dichlorophenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968917
8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361978
8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115361991
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968939
9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968950
8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 114910393
9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968892
8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 113294388
8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115362003
8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115362032
(6S)-6-(3-bromophenyl)morpholin-2-one
CID 129373505

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane?
The IUPAC name of 8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane (CID 115361972) is 8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane.
What is the SMILES notation for 8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane?
The canonical SMILES for 8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane is Brc1cccc(C2CNCC3(CCCC3)CO2)c1.
What is the InChIKey of 8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane?
The InChIKey is AVIMLPZLRFTDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-5-3-4-12(8-13)14-9-17-10-15(11-18-14)6-1-2-7-15/h3-5,8,14,17H,1-2,6-7,9-11H2.
What are the key properties of 8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane?
8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane has a molecular weight of 310.23 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane is sourced from PubChem (CID 115361972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).