(5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione

C7H9BrN2O2 — CID 130621805

IUPAC(5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione
SMILESC=C(Br)CN1C(=O)N[C@@H](C)C1=O
InChIInChI=1S/C7H9BrN2O2/c1-4(8)3-10-6(11)5(2)9-7(10)12/h5H,1,3H2,2H3,(H,9,12)/t5-/m0/s1
InChIKeySFGMULSRLWUVCT-YFKPBYRVSA-N
MW233.06 g/mol
LogP0.84
Rot. Bonds2

About (5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione

(5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione (PubChem CID 130621805) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is (5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione
PubChem CID130621805
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name(5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione
SMILESC=C(Br)CN1C(=O)N[C@@H](C)C1=O
InChIInChI=1S/C7H9BrN2O2/c1-4(8)3-10-6(11)5(2)9-7(10)12/h5H,1,3H2,2H3,(H,9,12)/t5-/m0/s1
InChIKeySFGMULSRLWUVCT-YFKPBYRVSA-N
XLogP0.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione (CID 130621805) is (5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione is C=C(Br)CN1C(=O)N[C@@H](C)C1=O.
What is the InChIKey of (5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is SFGMULSRLWUVCT-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-4(8)3-10-6(11)5(2)9-7(10)12/h5H,1,3H2,2H3,(H,9,12)/t5-/m0/s1.
What are the key properties of (5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 233.06 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-bromoprop-2-enyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 130621805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).