2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone

C18H22BrNO — CID 97347624

IUPAC2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC2(CCCCC2)C1
InChIInChI=1S/C18H22BrNO/c19-14-6-4-5-13(9-14)15-10-16(15)17(21)20-11-18(12-20)7-2-1-3-8-18/h4-6,9,15-16H,1-3,7-8,10-12H2/t15-,16+/m0/s1
InChIKeyYGIUAPIWZPYFTJ-JKSUJKDBSA-N
MW348.28 g/mol
LogP4.35
Rot. Bonds2

About 2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone

2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone (PubChem CID 97347624) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone
PubChem CID97347624
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC2(CCCCC2)C1
InChIInChI=1S/C18H22BrNO/c19-14-6-4-5-13(9-14)15-10-16(15)17(21)20-11-18(12-20)7-2-1-3-8-18/h4-6,9,15-16H,1-3,7-8,10-12H2/t15-,16+/m0/s1
InChIKeyYGIUAPIWZPYFTJ-JKSUJKDBSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone with MolForge

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Related Compounds

(3R)-1-[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125148642
[(1S,2R)-2-(3-bromophenyl)cyclopropyl]-(1,4-thiazepan-4-yl)methanone
CID 95151146
1-[2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119166076
[2-(3-bromophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119418098
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone
CID 124778448
methyl 1-[2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylate
CID 47087641
[(1R,2R)-2-(3-bromophenyl)cyclopropyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124779684
4-(3-bromophenyl)pyrrolidine-1,3-dicarboxylic acid
CID 66655297
(3S)-4-[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125154079
[2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 55889204
trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
CID 94813050
[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 66796086

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone?
The IUPAC name of 2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone (CID 97347624) is 2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone.
What is the SMILES notation for 2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone?
The canonical SMILES for 2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone is O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CC2(CCCCC2)C1.
What is the InChIKey of 2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone?
The InChIKey is YGIUAPIWZPYFTJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H22BrNO/c19-14-6-4-5-13(9-14)15-10-16(15)17(21)20-11-18(12-20)7-2-1-3-8-18/h4-6,9,15-16H,1-3,7-8,10-12H2/t15-,16+/m0/s1.
What are the key properties of 2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone?
2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone has a molecular weight of 348.28 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.5]nonan-2-yl-[(1R,2R)-2-(3-bromophenyl)cyclopropyl]methanone is sourced from PubChem (CID 97347624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).