1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione

C12H16N2O3 — CID 98186157

IUPAC1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
SMILESC[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)NC(=O)C1=O
InChIInChI=1S/C12H16N2O3/c1-6(9-5-7-2-3-8(9)4-7)14-11(16)10(15)13-12(14)17/h6-9H,2-5H2,1H3,(H,13,15,17)/t6-,7+,8+,9+/m1/s1
InChIKeyBTXZCCVESILKJW-XGEHTFHBSA-N
MW236.27 g/mol
LogP0.89
Rot. Bonds2

About 1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione

1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione (PubChem CID 98186157) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
PubChem CID98186157
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione
SMILESC[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)NC(=O)C1=O
InChIInChI=1S/C12H16N2O3/c1-6(9-5-7-2-3-8(9)4-7)14-11(16)10(15)13-12(14)17/h6-9H,2-5H2,1H3,(H,13,15,17)/t6-,7+,8+,9+/m1/s1
InChIKeyBTXZCCVESILKJW-XGEHTFHBSA-N
XLogP0.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
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-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione (CID 98186157) is 1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione is C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)NC(=O)C1=O.
What is the InChIKey of 1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione?
The InChIKey is BTXZCCVESILKJW-XGEHTFHBSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-6(9-5-7-2-3-8(9)4-7)14-11(16)10(15)13-12(14)17/h6-9H,2-5H2,1H3,(H,13,15,17)/t6-,7+,8+,9+/m1/s1.
What are the key properties of 1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione?
1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione has a molecular weight of 236.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 98186157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).