(5S)-5-methylimidazolidine-2,4-dione

C4H6N2O2 — CID 6419931

IUPAC(5S)-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)/t2-/m0/s1
InChIKeyVMAQYKGITHDWKL-REOHCLBHSA-N
MW114.10 g/mol
LogP-0.79
Rot. Bonds

About (5S)-5-methylimidazolidine-2,4-dione

(5S)-5-methylimidazolidine-2,4-dione (PubChem CID 6419931) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is (5S)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methylimidazolidine-2,4-dione
PubChem CID6419931
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name(5S)-5-methylimidazolidine-2,4-dione
SMILESC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)/t2-/m0/s1
InChIKeyVMAQYKGITHDWKL-REOHCLBHSA-N
XLogP-0.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
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)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methylimidazolidine-2,4-dione (CID 6419931) is (5S)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methylimidazolidine-2,4-dione is C[C@@H]1NC(=O)NC1=O.
What is the InChIKey of (5S)-5-methylimidazolidine-2,4-dione?
The InChIKey is VMAQYKGITHDWKL-REOHCLBHSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)/t2-/m0/s1.
What are the key properties of (5S)-5-methylimidazolidine-2,4-dione?
(5S)-5-methylimidazolidine-2,4-dione has a molecular weight of 114.10 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 6419931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).