imidazol-2-one;propanoic acid

C6H8N2O3 — CID 19604682

IUPACimidazol-2-one;propanoic acid
SMILESCCC(=O)O.O=C1N=CC=N1
InChIInChI=1S/C3H2N2O.C3H6O2/c6-3-4-1-2-5-3;1-2-3(4)5/h1-2H;2H2,1H3,(H,4,5)
InChIKeyMOURNURMVKNTBP-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.74
Rot. Bonds1

About imidazol-2-one;propanoic acid

imidazol-2-one;propanoic acid (PubChem CID 19604682) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is imidazol-2-one;propanoic acid.

Molecular Properties

Compound Nameimidazol-2-one;propanoic acid
PubChem CID19604682
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Nameimidazol-2-one;propanoic acid
SMILESCCC(=O)O.O=C1N=CC=N1
InChIInChI=1S/C3H2N2O.C3H6O2/c6-3-4-1-2-5-3;1-2-3(4)5/h1-2H;2H2,1H3,(H,4,5)
InChIKeyMOURNURMVKNTBP-UHFFFAOYSA-N
XLogP0.74
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of imidazol-2-one;propanoic acid?
The IUPAC name of imidazol-2-one;propanoic acid (CID 19604682) is imidazol-2-one;propanoic acid.
What is the SMILES notation for imidazol-2-one;propanoic acid?
The canonical SMILES for imidazol-2-one;propanoic acid is CCC(=O)O.O=C1N=CC=N1.
What is the InChIKey of imidazol-2-one;propanoic acid?
The InChIKey is MOURNURMVKNTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2O.C3H6O2/c6-3-4-1-2-5-3;1-2-3(4)5/h1-2H;2H2,1H3,(H,4,5).
What are the key properties of imidazol-2-one;propanoic acid?
imidazol-2-one;propanoic acid has a molecular weight of 156.14 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-2-one;propanoic acid is sourced from PubChem (CID 19604682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).