(3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone

C16H22BrNO2 — CID 75478349

IUPAC(3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone
SMILESCC1CCN(C(=O)c2occc2Br)CC12CCCCC2
InChIInChI=1S/C16H22BrNO2/c1-12-5-9-18(11-16(12)7-3-2-4-8-16)15(19)14-13(17)6-10-20-14/h6,10,12H,2-5,7-9,11H2,1H3
InChIKeyYNJIPVCCOGCCII-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.47
Rot. Bonds1

About (3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone

(3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone (PubChem CID 75478349) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone
PubChem CID75478349
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name(3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone
SMILESCC1CCN(C(=O)c2occc2Br)CC12CCCCC2
InChIInChI=1S/C16H22BrNO2/c1-12-5-9-18(11-16(12)7-3-2-4-8-16)15(19)14-13(17)6-10-20-14/h6,10,12H,2-5,7-9,11H2,1H3
InChIKeyYNJIPVCCOGCCII-UHFFFAOYSA-N
XLogP4.47
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromofuran-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413838
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromofuran-2-yl)methanone
CID 119519300
5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid
CID 120552932
(2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone
CID 138058681
(2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124610786
3-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)cyclohexane-1-carboxylic acid
CID 120552930
N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide
CID 146076546
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(3-bromofuran-2-yl)methanone
CID 68601440
7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methanone
CID 114973383
(3-bromofuran-2-yl)-[1-(methylamino)cyclopentyl]methanone
CID 130573801
(3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone
CID 79067062
1-[2-[(3-bromofuran-2-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525575

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone (CID 75478349) is (3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone is CC1CCN(C(=O)c2occc2Br)CC12CCCCC2.
What is the InChIKey of (3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is YNJIPVCCOGCCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-12-5-9-18(11-16(12)7-3-2-4-8-16)15(19)14-13(17)6-10-20-14/h6,10,12H,2-5,7-9,11H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone?
(3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 340.26 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 75478349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).