ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one

C7H10N2O3 — CID 174765688

IUPACethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one
SMILESC=C=O.O=c1[nH]ccn1CCO
InChIInChI=1S/C5H8N2O2.C2H2O/c8-4-3-7-2-1-6-5(7)9;1-2-3/h1-2,8H,3-4H2,(H,6,9);1H2
InChIKeyDPSAUDKPVCFQNX-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.83
Rot. Bonds2

About ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one

ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one (PubChem CID 174765688) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Nameethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one
PubChem CID174765688
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Nameethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one
SMILESC=C=O.O=c1[nH]ccn1CCO
InChIInChI=1S/C5H8N2O2.C2H2O/c8-4-3-7-2-1-6-5(7)9;1-2-3/h1-2,8H,3-4H2,(H,6,9);1H2
InChIKeyDPSAUDKPVCFQNX-UHFFFAOYSA-N
XLogP-0.83
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one?
The IUPAC name of ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one (CID 174765688) is ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one.
What is the SMILES notation for ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one?
The canonical SMILES for ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one is C=C=O.O=c1[nH]ccn1CCO.
What is the InChIKey of ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one?
The InChIKey is DPSAUDKPVCFQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.C2H2O/c8-4-3-7-2-1-6-5(7)9;1-2-3/h1-2,8H,3-4H2,(H,6,9);1H2.
What are the key properties of ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one?
ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one has a molecular weight of 170.17 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenone;3-(2-hydroxyethyl)-1H-imidazol-2-one is sourced from PubChem (CID 174765688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).