1-(1-prop-1-enoxyethyl)imidazole

C8H12N2O — CID 70139344

IUPAC1-(1-prop-1-enoxyethyl)imidazole
SMILESCC=COC(C)n1ccnc1
InChIInChI=1S/C8H12N2O/c1-3-6-11-8(2)10-5-4-9-7-10/h3-8H,1-2H3
InChIKeyPBDXDZNZGPPJJS-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.95
Rot. Bonds3

About 1-(1-prop-1-enoxyethyl)imidazole

1-(1-prop-1-enoxyethyl)imidazole (PubChem CID 70139344) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(1-prop-1-enoxyethyl)imidazole.

Molecular Properties

Compound Name1-(1-prop-1-enoxyethyl)imidazole
PubChem CID70139344
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(1-prop-1-enoxyethyl)imidazole
SMILESCC=COC(C)n1ccnc1
InChIInChI=1S/C8H12N2O/c1-3-6-11-8(2)10-5-4-9-7-10/h3-8H,1-2H3
InChIKeyPBDXDZNZGPPJJS-UHFFFAOYSA-N
XLogP1.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-1-enoxyethyl)imidazole?
The IUPAC name of 1-(1-prop-1-enoxyethyl)imidazole (CID 70139344) is 1-(1-prop-1-enoxyethyl)imidazole.
What is the SMILES notation for 1-(1-prop-1-enoxyethyl)imidazole?
The canonical SMILES for 1-(1-prop-1-enoxyethyl)imidazole is CC=COC(C)n1ccnc1.
What is the InChIKey of 1-(1-prop-1-enoxyethyl)imidazole?
The InChIKey is PBDXDZNZGPPJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-6-11-8(2)10-5-4-9-7-10/h3-8H,1-2H3.
What are the key properties of 1-(1-prop-1-enoxyethyl)imidazole?
1-(1-prop-1-enoxyethyl)imidazole has a molecular weight of 152.20 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-1-enoxyethyl)imidazole is sourced from PubChem (CID 70139344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).