3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one

C8H12N4O3 — CID 136505266

IUPAC3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one
SMILESC=C(C)/N=N/c1c[nH]c(=O)n1CC(O)O
InChIInChI=1S/C8H12N4O3/c1-5(2)10-11-6-3-9-8(15)12(6)4-7(13)14/h3,7,13-14H,1,4H2,2H3,(H,9,15)/b11-10+
InChIKeyICEQFLWEJMUPEH-ZHACJKMWSA-N
MW212.21 g/mol
LogP0.10
Rot. Bonds4

About 3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one

3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one (PubChem CID 136505266) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one
PubChem CID136505266
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one
SMILESC=C(C)/N=N/c1c[nH]c(=O)n1CC(O)O
InChIInChI=1S/C8H12N4O3/c1-5(2)10-11-6-3-9-8(15)12(6)4-7(13)14/h3,7,13-14H,1,4H2,2H3,(H,9,15)/b11-10+
InChIKeyICEQFLWEJMUPEH-ZHACJKMWSA-N
XLogP0.10
TPSA102.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one (CID 136505266) is 3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one is C=C(C)/N=N/c1c[nH]c(=O)n1CC(O)O.
What is the InChIKey of 3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one?
The InChIKey is ICEQFLWEJMUPEH-ZHACJKMWSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-5(2)10-11-6-3-9-8(15)12(6)4-7(13)14/h3,7,13-14H,1,4H2,2H3,(H,9,15)/b11-10+.
What are the key properties of 3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one?
3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one has a molecular weight of 212.21 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dihydroxyethyl)-4-(prop-1-en-2-yldiazenyl)-1H-imidazol-2-one is sourced from PubChem (CID 136505266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).