4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one

C5H6N2O2 — CID 88994002

IUPAC4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one
SMILESC=C(O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C5H6N2O2/c1-3(8)4-2-6-5(9)7-4/h2,8H,1H2,(H2,6,7,9)
InChIKeyKTWONMARPWOXSQ-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.23
Rot. Bonds1

About 4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one

4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one (PubChem CID 88994002) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one
PubChem CID88994002
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one
SMILESC=C(O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C5H6N2O2/c1-3(8)4-2-6-5(9)7-4/h2,8H,1H2,(H2,6,7,9)
InChIKeyKTWONMARPWOXSQ-UHFFFAOYSA-N
XLogP0.23
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one (CID 88994002) is 4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one is C=C(O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one?
The InChIKey is KTWONMARPWOXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3(8)4-2-6-5(9)7-4/h2,8H,1H2,(H2,6,7,9).
What are the key properties of 4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one?
4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one has a molecular weight of 126.11 g/mol, XLogP of 0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethenyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 88994002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).