1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate

C11H16N2O3 — CID 139906170

IUPAC1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)O.C=Cn1ccnc1
InChIInChI=1S/C6H10O3.C5H6N2/c1-4(2)6(8)9-5(3)7;1-2-7-4-3-6-5-7/h5,7H,1H2,2-3H3;2-5H,1H2
InChIKeyWYFFRXRMXLOZHX-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.43
Rot. Bonds3

About 1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate

1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate (PubChem CID 139906170) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate
PubChem CID139906170
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)O.C=Cn1ccnc1
InChIInChI=1S/C6H10O3.C5H6N2/c1-4(2)6(8)9-5(3)7;1-2-7-4-3-6-5-7/h5,7H,1H2,2-3H3;2-5H,1H2
InChIKeyWYFFRXRMXLOZHX-UHFFFAOYSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate
CID 70536973
tetrakis(1-ethenylimidazole);tetrahydrofluoride
CID 173041654
3-imidazol-1-ylhexan-2-yl 2-methylprop-2-enoate;hydrobromide
CID 174774166
magnesium;1-ethenylimidazole;hydride;hydrochloride
CID 174736374
1-ethenylimidazole;hydrogen sulfite
CID 174466052
but-3-enoic acid;1-hydroxyethyl 2-methylprop-2-enoate
CID 87377367
1-ethenylimidazole;4-ethenylpyridine;2-imidazol-1-ylethyl 2-methylprop-2-enoate;2-imidazol-1-ylethyl prop-2-enoate;1-prop-2-enylimidazole
CID 159784719
butyl 2-methylprop-2-enoate;1-(diethylamino)ethyl 2-methylprop-2-enoate;1-hydroxyethyl 2-methylprop-2-enoate
CID 88730169
1-ethenylimidazole;1-ethenyl-4-methylbenzene;4-ethenylpyridine;1-ethenylpyrrolidin-2-one;methyl 2-methylprop-2-enoate;2-methyl-N-propan-2-ylprop-2-enamide;styrene
CID 165005517
propan-2-yl 2-methylprop-2-enoate
CID 146421311
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
(2-amino-3-imidazol-1-yl-3-oxopropyl) 2-methylprop-2-enoate
CID 67459415

Frequently Asked Questions

What is the IUPAC name of 1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate?
The IUPAC name of 1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate (CID 139906170) is 1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)O.C=Cn1ccnc1.
What is the InChIKey of 1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate?
The InChIKey is WYFFRXRMXLOZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H6N2/c1-4(2)6(8)9-5(3)7;1-2-7-4-3-6-5-7/h5,7H,1H2,2-3H3;2-5H,1H2.
What are the key properties of 1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate?
1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate has a molecular weight of 224.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139906170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).