[2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone

C17H20BrNO2 — CID 146471082

IUPAC[2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC2(CC2c2ccc(Br)cc2)C1
InChIInChI=1S/C17H20BrNO2/c18-13-5-3-12(4-6-13)14-10-17(14)7-8-19(11-17)16(20)15-2-1-9-21-15/h3-6,14-15H,1-2,7-11H2/t14?,15-,17?/m1/s1
InChIKeyQYLAXLAGGMYMIL-ISXOHVOVSA-N
MW350.26 g/mol
LogP3.33
Rot. Bonds2

About [2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone

[2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 146471082) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is [2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID146471082
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name[2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC2(CC2c2ccc(Br)cc2)C1
InChIInChI=1S/C17H20BrNO2/c18-13-5-3-12(4-6-13)14-10-17(14)7-8-19(11-17)16(20)15-2-1-9-21-15/h3-6,14-15H,1-2,7-11H2/t14?,15-,17?/m1/s1
InChIKeyQYLAXLAGGMYMIL-ISXOHVOVSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504722
bis(2-(4-bromophenyl)-6-azaspiro[2.5]octane);[(2S)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[(2R)-2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;[2-(4-bromophenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone;tert-butyl 2-(4-bromophenyl)-6-azaspiro[2.5]octane-6-carboxylate;(2R)-oxolane-2-carboxylic acid;sulfuric acid
CID 157182628
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 93173457
[2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 47404799
3-methyl-5-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471115
3-fluoro-5-[4-[(2R)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471104
3-methyl-5-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471291
4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid
CID 146471193
3-fluoro-5-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471204
[(Z)-C-[4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]phenyl]carbonohydrazonoyl]iminoazanium
CID 172954018
3-chloro-4-[4-[(2S)-6-[(2R)-oxolane-2-carbonyl]-6-azaspiro[2.5]octan-2-yl]phenyl]benzoic acid
CID 146471120
3-[4-[(2R)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]-4-(trifluoromethyl)benzoic acid
CID 146471160

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone (CID 146471082) is [2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCC2(CC2c2ccc(Br)cc2)C1.
What is the InChIKey of [2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is QYLAXLAGGMYMIL-ISXOHVOVSA-N. The full InChI is InChI=1S/C17H20BrNO2/c18-13-5-3-12(4-6-13)14-10-17(14)7-8-19(11-17)16(20)15-2-1-9-21-15/h3-6,14-15H,1-2,7-11H2/t14?,15-,17?/m1/s1.
What are the key properties of [2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone?
[2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 350.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-5-azaspiro[2.4]heptan-5-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 146471082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).