(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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Related Compounds

ethyl 2-(4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 137320526
3-(2-amino-2-methylpropyl)-5-methylimidazolidine-2,4-dione
CID 82406192
(5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione
CID 130751870
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
5-methyl-3-(3-methylbut-2-enyl)-2-sulfanylideneimidazolidin-4-one
CID 130727468
3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione
CID 103071713
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
CID 82157268
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetic acid
CID 10821883
3-(3-imidazolidin-3-ium-1-ylpropyl)-5-methylimidazolidine-2,4-dione
CID 163167788
(5R)-3-ethoxy-5-methylimidazolidine-2,4-dione
CID 126988402
2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 130643113

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).