2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione

C16H18BrNO2 — CID 60977143

IUPAC2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCC(c1cccc(Br)c1)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C16H18BrNO2/c1-11(12-5-4-6-13(17)9-12)18-14(19)10-16(15(18)20)7-2-3-8-16/h4-6,9,11H,2-3,7-8,10H2,1H3
InChIKeyONSOBQBNZDVRPV-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.83
Rot. Bonds2

About 2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 60977143) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID60977143
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCC(c1cccc(Br)c1)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C16H18BrNO2/c1-11(12-5-4-6-13(17)9-12)18-14(19)10-16(15(18)20)7-2-3-8-16/h4-6,9,11H,2-3,7-8,10H2,1H3
InChIKeyONSOBQBNZDVRPV-UHFFFAOYSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385974
9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64946503
2-[3-[1-(methylamino)ethyl]phenyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 43653750
4-[1-(3-bromophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64953315
2-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 106282470
1-[1-(3-aminophenyl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437320
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)propanenitrile
CID 54904488
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid
CID 54773487
2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437122
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9467542
2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 62092760
2-(1-hydroxy-3-methylbutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 79244706

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 60977143) is 2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione is CC(c1cccc(Br)c1)N1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is ONSOBQBNZDVRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(12-5-4-6-13(17)9-12)18-14(19)10-16(15(18)20)7-2-3-8-16/h4-6,9,11H,2-3,7-8,10H2,1H3.
What are the key properties of 2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 336.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 60977143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).