3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione

C10H17BrN2O2 — CID 59734722

IUPAC3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESC[C@H](Br)CCN1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C10H17BrN2O2/c1-7(11)5-6-13-8(14)10(2,3)12(4)9(13)15/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyMKJOPWOZGPYPIM-ZETCQYMHSA-N
MW277.16 g/mol
LogP1.83
Rot. Bonds3

About 3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione

3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 59734722) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione
PubChem CID59734722
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESC[C@H](Br)CCN1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C10H17BrN2O2/c1-7(11)5-6-13-8(14)10(2,3)12(4)9(13)15/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyMKJOPWOZGPYPIM-ZETCQYMHSA-N
XLogP1.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 51.83
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione (CID 59734722) is 3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione is C[C@H](Br)CCN1C(=O)N(C)C(C)(C)C1=O.
What is the InChIKey of 3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is MKJOPWOZGPYPIM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-7(11)5-6-13-8(14)10(2,3)12(4)9(13)15/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of 3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione?
3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 277.16 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-bromobutyl]-1,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 59734722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).