4-imidazol-1-ylbutyl 2-methylprop-2-enoate

C11H16N2O2 — CID 58870913

IUPAC4-imidazol-1-ylbutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCn1ccnc1
InChIInChI=1S/C11H16N2O2/c1-10(2)11(14)15-8-4-3-6-13-7-5-12-9-13/h5,7,9H,1,3-4,6,8H2,2H3
InChIKeyQXMBMLJVGOFHGF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.78
Rot. Bonds6

About 4-imidazol-1-ylbutyl 2-methylprop-2-enoate

4-imidazol-1-ylbutyl 2-methylprop-2-enoate (PubChem CID 58870913) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-imidazol-1-ylbutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-imidazol-1-ylbutyl 2-methylprop-2-enoate
PubChem CID58870913
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-imidazol-1-ylbutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCn1ccnc1
InChIInChI=1S/C11H16N2O2/c1-10(2)11(14)15-8-4-3-6-13-7-5-12-9-13/h5,7,9H,1,3-4,6,8H2,2H3
InChIKeyQXMBMLJVGOFHGF-UHFFFAOYSA-N
XLogP1.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 1H-imidazole-1-butanoate
CID 3055389
ethyl 3-(1H-imidazol-1-yl)propanoate
CID 11845203
Imidazole-1-butyric acid, 2-methyl-, ethyl ester
CID 3066545
ethyl (Z)-3-imidazol-1-ylprop-2-enoate
CID 46176790
2-(1H-Imidazol-1-yl)ethyl methacrylate
CID 3017303
1-Ethenylimidazole;methyl 2-methylprop-2-enoate
CID 70426710
1-Butyl-3-methylimidazolium propionate
CID 25056657
Butyl 3-imidazol-1-ylpropanoate
CID 58526067
2-[(1-Imidazolyl)formyloxy]ethyl methacrylate
CID 66921588
1-(11-Acryloyloxyundecyl)-3-methylimidazolium bromide
CID 86657881
2-(1-Butylimidazolium-3-yl)ethyl methacrylate tetrafluoroborate
CID 87157951
1-(6-Acryloyloxyhexyl)-3-methyl imidazolium bromide
CID 87382879

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-ylbutyl 2-methylprop-2-enoate?
The IUPAC name of 4-imidazol-1-ylbutyl 2-methylprop-2-enoate (CID 58870913) is 4-imidazol-1-ylbutyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-imidazol-1-ylbutyl 2-methylprop-2-enoate?
The canonical SMILES for 4-imidazol-1-ylbutyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCn1ccnc1.
What is the InChIKey of 4-imidazol-1-ylbutyl 2-methylprop-2-enoate?
The InChIKey is QXMBMLJVGOFHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-10(2)11(14)15-8-4-3-6-13-7-5-12-9-13/h5,7,9H,1,3-4,6,8H2,2H3.
What are the key properties of 4-imidazol-1-ylbutyl 2-methylprop-2-enoate?
4-imidazol-1-ylbutyl 2-methylprop-2-enoate has a molecular weight of 208.26 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-ylbutyl 2-methylprop-2-enoate is sourced from PubChem (CID 58870913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).