ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate

C10H14N2O2 — CID 11550156

IUPACethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate
SMILESC=CCn1cnc(C(=O)OCC)c1C
InChIInChI=1S/C10H14N2O2/c1-4-6-12-7-11-9(8(12)3)10(13)14-5-2/h4,7H,1,5-6H2,2-3H3
InChIKeySBFSGTHUCJKIKW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.55
Rot. Bonds4

About ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate

ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate (PubChem CID 11550156) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate
PubChem CID11550156
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate
SMILESC=CCn1cnc(C(=O)OCC)c1C
InChIInChI=1S/C10H14N2O2/c1-4-6-12-7-11-9(8(12)3)10(13)14-5-2/h4,7H,1,5-6H2,2-3H3
InChIKeySBFSGTHUCJKIKW-UHFFFAOYSA-N
XLogP1.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate (CID 11550156) is ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate is C=CCn1cnc(C(=O)OCC)c1C.
What is the InChIKey of ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate?
The InChIKey is SBFSGTHUCJKIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-6-12-7-11-9(8(12)3)10(13)14-5-2/h4,7H,1,5-6H2,2-3H3.
What are the key properties of ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate?
ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate is sourced from PubChem (CID 11550156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).