1-but-2-enyl-3-ethyl-2H-imidazole

C9H16N2 — CID 68590115

IUPAC1-but-2-enyl-3-ethyl-2H-imidazole
SMILESCC=CCN1C=CN(CC)C1
InChIInChI=1S/C9H16N2/c1-3-5-6-11-8-7-10(4-2)9-11/h3,5,7-8H,4,6,9H2,1-2H3
InChIKeyHMNWNDMJHISPNF-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds3

About 1-but-2-enyl-3-ethyl-2H-imidazole

1-but-2-enyl-3-ethyl-2H-imidazole (PubChem CID 68590115) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-but-2-enyl-3-ethyl-2H-imidazole.

Molecular Properties

Compound Name1-but-2-enyl-3-ethyl-2H-imidazole
PubChem CID68590115
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-but-2-enyl-3-ethyl-2H-imidazole
SMILESCC=CCN1C=CN(CC)C1
InChIInChI=1S/C9H16N2/c1-3-5-6-11-8-7-10(4-2)9-11/h3,5,7-8H,4,6,9H2,1-2H3
InChIKeyHMNWNDMJHISPNF-UHFFFAOYSA-N
XLogP1.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-enyl-3-ethyl-2H-imidazole?
The IUPAC name of 1-but-2-enyl-3-ethyl-2H-imidazole (CID 68590115) is 1-but-2-enyl-3-ethyl-2H-imidazole.
What is the SMILES notation for 1-but-2-enyl-3-ethyl-2H-imidazole?
The canonical SMILES for 1-but-2-enyl-3-ethyl-2H-imidazole is CC=CCN1C=CN(CC)C1.
What is the InChIKey of 1-but-2-enyl-3-ethyl-2H-imidazole?
The InChIKey is HMNWNDMJHISPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-6-11-8-7-10(4-2)9-11/h3,5,7-8H,4,6,9H2,1-2H3.
What are the key properties of 1-but-2-enyl-3-ethyl-2H-imidazole?
1-but-2-enyl-3-ethyl-2H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-3-ethyl-2H-imidazole is sourced from PubChem (CID 68590115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).