(5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione

C9H12N2O3 — CID 130607643

IUPAC(5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CC2CCCC2=O)N1
InChIInChI=1S/C9H12N2O3/c12-7-3-1-2-5(7)4-6-8(13)11-9(14)10-6/h5-6H,1-4H2,(H2,10,11,13,14)/t5?,6-/m0/s1
InChIKeyVLGFYVVBIAQCDT-GDVGLLTNSA-N
MW196.21 g/mol
LogP-0.05
Rot. Bonds2

About (5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione

(5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione (PubChem CID 130607643) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione
PubChem CID130607643
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CC2CCCC2=O)N1
InChIInChI=1S/C9H12N2O3/c12-7-3-1-2-5(7)4-6-8(13)11-9(14)10-6/h5-6H,1-4H2,(H2,10,11,13,14)/t5?,6-/m0/s1
InChIKeyVLGFYVVBIAQCDT-GDVGLLTNSA-N
XLogP-0.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione (CID 130607643) is (5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H](CC2CCCC2=O)N1.
What is the InChIKey of (5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione?
The InChIKey is VLGFYVVBIAQCDT-GDVGLLTNSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-7-3-1-2-5(7)4-6-8(13)11-9(14)10-6/h5-6H,1-4H2,(H2,10,11,13,14)/t5?,6-/m0/s1.
What are the key properties of (5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione?
(5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-oxocyclopentyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 130607643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).