1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione

C13H20N2O3 — CID 2058501

IUPAC1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione
SMILESCC[C@H](C)N1C(=O)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-3-9(2)14-11(16)12(17)15(13(14)18)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyNKRWEHRJGRRCHY-VIFPVBQESA-N
MW252.31 g/mol
LogP1.91
Rot. Bonds3

About 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione

1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione (PubChem CID 2058501) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione
PubChem CID2058501
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione
SMILESCC[C@H](C)N1C(=O)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-3-9(2)14-11(16)12(17)15(13(14)18)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyNKRWEHRJGRRCHY-VIFPVBQESA-N
XLogP1.91
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione (CID 2058501) is 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione is CC[C@H](C)N1C(=O)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione?
The InChIKey is NKRWEHRJGRRCHY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-9(2)14-11(16)12(17)15(13(14)18)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione?
1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione has a molecular weight of 252.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-3-cyclohexylimidazolidine-2,4,5-trione is sourced from PubChem (CID 2058501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).