3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C11H17BrN2O2 — CID 64995551

IUPAC3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(CBr)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C11H17BrN2O2/c1-8(6-12)7-14-9(15)11(13-10(14)16)4-2-3-5-11/h8H,2-7H2,1H3,(H,13,16)
InChIKeyPGOJTWOHNCZSTM-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.88
Rot. Bonds3

About 3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 64995551) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID64995551
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(CBr)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C11H17BrN2O2/c1-8(6-12)7-14-9(15)11(13-10(14)16)4-2-3-5-11/h8H,2-7H2,1H3,(H,13,16)
InChIKeyPGOJTWOHNCZSTM-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 64995612
3-(3-bromo-2-methylpropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 64995610
3-[2-(bromomethyl)-3-methylbutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 65011583
3-(3-bromo-2-hydroxypropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 112560051
3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 65014536
3-[2-(bromomethyl)-3-methylbutyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 65011638
methyl 2-bromo-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 81091939
3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 65002385
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
8-ethyl-3-(2-methylpropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7568235
3-(2-aminobutyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148499
7-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 111476758

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 64995551) is 3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is CC(CBr)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is PGOJTWOHNCZSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-8(6-12)7-14-9(15)11(13-10(14)16)4-2-3-5-11/h8H,2-7H2,1H3,(H,13,16).
What are the key properties of 3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 289.17 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 64995551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).