1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one

C11H18BrNO — CID 130516375

IUPAC1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one
SMILESCC(Br)C(=O)N1CCC2(CCCC2)C1
InChIInChI=1S/C11H18BrNO/c1-9(12)10(14)13-7-6-11(8-13)4-2-3-5-11/h9H,2-8H2,1H3
InChIKeyOBUIVNZUWCZLFK-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.56
Rot. Bonds1

About 1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one

1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one (PubChem CID 130516375) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is 1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one.

Molecular Properties

Compound Name1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one
PubChem CID130516375
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one
SMILESCC(Br)C(=O)N1CCC2(CCCC2)C1
InChIInChI=1S/C11H18BrNO/c1-9(12)10(14)13-7-6-11(8-13)4-2-3-5-11/h9H,2-8H2,1H3
InChIKeyOBUIVNZUWCZLFK-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
CID 130164939
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
(2R)-2-amino-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one;hydrochloride
CID 119338501
2-bromo-1-(2,2-dimethylthiomorpholin-4-yl)propan-1-one
CID 107905824
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride
CID 169493333
N-[1-(2-azaspiro[4.5]decan-2-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014781
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one
CID 130721457
N,N-diethyl-2-azaspiro[4.5]decane-2-carboxamide
CID 113242675
(2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride
CID 130927327
2-bromo-1-(2,2-dimethyl-1,4-oxazepan-4-yl)propan-1-one
CID 131207158
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one?
The IUPAC name of 1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one (CID 130516375) is 1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one.
What is the SMILES notation for 1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one?
The canonical SMILES for 1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one is CC(Br)C(=O)N1CCC2(CCCC2)C1.
What is the InChIKey of 1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one?
The InChIKey is OBUIVNZUWCZLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-9(12)10(14)13-7-6-11(8-13)4-2-3-5-11/h9H,2-8H2,1H3.
What are the key properties of 1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one?
1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one has a molecular weight of 260.17 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one is sourced from PubChem (CID 130516375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).