1-methyl-2-(prop-2-enoxymethyl)imidazole

C8H12N2O — CID 146020721

IUPAC1-methyl-2-(prop-2-enoxymethyl)imidazole
SMILESC=CCOCc1nccn1C
InChIInChI=1S/C8H12N2O/c1-3-6-11-7-8-9-4-5-10(8)2/h3-5H,1,6-7H2,2H3
InChIKeyCTYKLFWYNJZULU-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.12
Rot. Bonds4

About 1-methyl-2-(prop-2-enoxymethyl)imidazole

1-methyl-2-(prop-2-enoxymethyl)imidazole (PubChem CID 146020721) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-methyl-2-(prop-2-enoxymethyl)imidazole.

Molecular Properties

Compound Name1-methyl-2-(prop-2-enoxymethyl)imidazole
PubChem CID146020721
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-methyl-2-(prop-2-enoxymethyl)imidazole
SMILESC=CCOCc1nccn1C
InChIInChI=1S/C8H12N2O/c1-3-6-11-7-8-9-4-5-10(8)2/h3-5H,1,6-7H2,2H3
InChIKeyCTYKLFWYNJZULU-UHFFFAOYSA-N
XLogP1.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-methyl-1H-imidazol-2-yl)methanol
CID 573612
(1-ethyl-1H-imidazol-2-yl)methanol
CID 581042
1-Ethynyl-2-(3-methoxyprop-1-ynyl)imidazole
CID 12130697
1H-Imidazolium, 1-((2,3-butadienyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride
CID 135705397
1H-Imidazolium, 1-((2-butenyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride, (?,E)-
CID 135705399
1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((2-methyl-2-propenyl)oxy)methyl)-, chloride
CID 135705481
1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-((2-propenyloxy)methyl)-, chloride
CID 135705519
1-(2-methoxyethyl)-1H-imidazole
CID 14366840
1-Butyl-2-hydroxymethylimidazole
CID 579275
1-((2'(Z)-Buten-1'-yloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride
CID 135612724
2-(methoxymethyl)-1-methyl-1H-imidazole
CID 19848332
(NE)-N-[[1-[[(Z)-but-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine chloride
CID 136206748

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(prop-2-enoxymethyl)imidazole?
The IUPAC name of 1-methyl-2-(prop-2-enoxymethyl)imidazole (CID 146020721) is 1-methyl-2-(prop-2-enoxymethyl)imidazole.
What is the SMILES notation for 1-methyl-2-(prop-2-enoxymethyl)imidazole?
The canonical SMILES for 1-methyl-2-(prop-2-enoxymethyl)imidazole is C=CCOCc1nccn1C.
What is the InChIKey of 1-methyl-2-(prop-2-enoxymethyl)imidazole?
The InChIKey is CTYKLFWYNJZULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-6-11-7-8-9-4-5-10(8)2/h3-5H,1,6-7H2,2H3.
What are the key properties of 1-methyl-2-(prop-2-enoxymethyl)imidazole?
1-methyl-2-(prop-2-enoxymethyl)imidazole has a molecular weight of 152.20 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(prop-2-enoxymethyl)imidazole is sourced from PubChem (CID 146020721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).