(3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one

C8H8N2O3 — CID 54336413

IUPAC(3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one
SMILESO=C1OCC[C@@H]1C(=O)c1ncc[nH]1
InChIInChI=1S/C8H8N2O3/c11-6(7-9-2-3-10-7)5-1-4-13-8(5)12/h2-3,5H,1,4H2,(H,9,10)/t5-/m1/s1
InChIKeyTVUIWOKDYIDIOX-RXMQYKEDSA-N
MW180.16 g/mol
LogP0.16
Rot. Bonds2

About (3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one

(3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one (PubChem CID 54336413) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is (3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one
PubChem CID54336413
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name(3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one
SMILESO=C1OCC[C@@H]1C(=O)c1ncc[nH]1
InChIInChI=1S/C8H8N2O3/c11-6(7-9-2-3-10-7)5-1-4-13-8(5)12/h2-3,5H,1,4H2,(H,9,10)/t5-/m1/s1
InChIKeyTVUIWOKDYIDIOX-RXMQYKEDSA-N
XLogP0.16
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one?
The IUPAC name of (3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one (CID 54336413) is (3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one.
What is the SMILES notation for (3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one?
The canonical SMILES for (3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one is O=C1OCC[C@@H]1C(=O)c1ncc[nH]1.
What is the InChIKey of (3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one?
The InChIKey is TVUIWOKDYIDIOX-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-6(7-9-2-3-10-7)5-1-4-13-8(5)12/h2-3,5H,1,4H2,(H,9,10)/t5-/m1/s1.
What are the key properties of (3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one?
(3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one has a molecular weight of 180.16 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-imidazole-2-carbonyl)oxolan-2-one is sourced from PubChem (CID 54336413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).