2-imidazol-1-ylethyl 2-methylprop-2-enoate

C9H12N2O2 — CID 3017303

IUPAC2-imidazol-1-ylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCn1ccnc1
InChIInChI=1S/C9H12N2O2/c1-8(2)9(12)13-6-5-11-4-3-10-7-11/h3-4,7H,1,5-6H2,2H3
InChIKeyKXVAYZZWCKNUMN-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.00
Rot. Bonds4

About 2-imidazol-1-ylethyl 2-methylprop-2-enoate

2-imidazol-1-ylethyl 2-methylprop-2-enoate (PubChem CID 3017303) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-imidazol-1-ylethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-imidazol-1-ylethyl 2-methylprop-2-enoate
PubChem CID3017303
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-imidazol-1-ylethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCn1ccnc1
InChIInChI=1S/C9H12N2O2/c1-8(2)9(12)13-6-5-11-4-3-10-7-11/h3-4,7H,1,5-6H2,2H3
InChIKeyKXVAYZZWCKNUMN-UHFFFAOYSA-N
XLogP1.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(1H-imidazol-1-yl)propanoate
CID 11845203
ethyl 2-(1H-imidazol-1-yl)acetate
CID 3798501
2-Imidazol-1-ylbutyl acetate
CID 44410441
ethyl (Z)-3-imidazol-1-ylprop-2-enoate
CID 46176790
1-Ethenylimidazole;methyl 2-methylprop-2-enoate
CID 70426710
1-(2-Methacryloxyethyl)-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
CID 129851649
3-(2-Ethoxy-2-oxoethyl)-1-methyl-1H-imidazol-3-ium bromide
CID 13692525
tert-Butyl (1H-imidazol-1-yl)acetate
CID 10103810
1-Ethyl ester methyl-3-methylimidazolium chloride
CID 11542996
Ethyl (2-methyl-1H-imidazol-1-yl)acetate
CID 28940035
4-(1h-Imidazole-1-yl) butyl-methacrylate
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CID 66921588

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylethyl 2-methylprop-2-enoate?
The IUPAC name of 2-imidazol-1-ylethyl 2-methylprop-2-enoate (CID 3017303) is 2-imidazol-1-ylethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-imidazol-1-ylethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-imidazol-1-ylethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCn1ccnc1.
What is the InChIKey of 2-imidazol-1-ylethyl 2-methylprop-2-enoate?
The InChIKey is KXVAYZZWCKNUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-8(2)9(12)13-6-5-11-4-3-10-7-11/h3-4,7H,1,5-6H2,2H3.
What are the key properties of 2-imidazol-1-ylethyl 2-methylprop-2-enoate?
2-imidazol-1-ylethyl 2-methylprop-2-enoate has a molecular weight of 180.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylethyl 2-methylprop-2-enoate is sourced from PubChem (CID 3017303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).