2-ethyl-1-prop-1-enylimidazole

C8H12N2 — CID 141365815

IUPAC2-ethyl-1-prop-1-enylimidazole
SMILESCC=Cn1ccnc1CC
InChIInChI=1S/C8H12N2/c1-3-6-10-7-5-9-8(10)4-2/h3,5-7H,4H2,1-2H3
InChIKeySCGNHCXSVDDHSZ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.94
Rot. Bonds2

About 2-ethyl-1-prop-1-enylimidazole

2-ethyl-1-prop-1-enylimidazole (PubChem CID 141365815) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-ethyl-1-prop-1-enylimidazole.

Molecular Properties

Compound Name2-ethyl-1-prop-1-enylimidazole
PubChem CID141365815
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-ethyl-1-prop-1-enylimidazole
SMILESCC=Cn1ccnc1CC
InChIInChI=1S/C8H12N2/c1-3-6-10-7-5-9-8(10)4-2/h3,5-7H,4H2,1-2H3
InChIKeySCGNHCXSVDDHSZ-UHFFFAOYSA-N
XLogP1.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1-prop-1-enylimidazole 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 2-ethyl-1-prop-1-enylimidazole?
The IUPAC name of 2-ethyl-1-prop-1-enylimidazole (CID 141365815) is 2-ethyl-1-prop-1-enylimidazole.
What is the SMILES notation for 2-ethyl-1-prop-1-enylimidazole?
The canonical SMILES for 2-ethyl-1-prop-1-enylimidazole is CC=Cn1ccnc1CC.
What is the InChIKey of 2-ethyl-1-prop-1-enylimidazole?
The InChIKey is SCGNHCXSVDDHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-6-10-7-5-9-8(10)4-2/h3,5-7H,4H2,1-2H3.
What are the key properties of 2-ethyl-1-prop-1-enylimidazole?
2-ethyl-1-prop-1-enylimidazole has a molecular weight of 136.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-prop-1-enylimidazole is sourced from PubChem (CID 141365815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).