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

C10H16N2 — CID 69014369

IUPAC1-but-2-enyl-3-prop-2-enyl-2H-imidazole
SMILESC=CCN1C=CN(CC=CC)C1
InChIInChI=1S/C10H16N2/c1-3-5-7-12-9-8-11(10-12)6-4-2/h3-5,8-9H,2,6-7,10H2,1H3
InChIKeyCYKASYMTSDDRCL-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.79
Rot. Bonds4

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

1-but-2-enyl-3-prop-2-enyl-2H-imidazole (PubChem CID 69014369) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-but-2-enyl-3-prop-2-enyl-2H-imidazole.

Molecular Properties

Compound Name1-but-2-enyl-3-prop-2-enyl-2H-imidazole
PubChem CID69014369
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-but-2-enyl-3-prop-2-enyl-2H-imidazole
SMILESC=CCN1C=CN(CC=CC)C1
InChIInChI=1S/C10H16N2/c1-3-5-7-12-9-8-11(10-12)6-4-2/h3-5,8-9H,2,6-7,10H2,1H3
InChIKeyCYKASYMTSDDRCL-UHFFFAOYSA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.79
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-prop-2-enyl-2H-imidazole?
The IUPAC name of 1-but-2-enyl-3-prop-2-enyl-2H-imidazole (CID 69014369) is 1-but-2-enyl-3-prop-2-enyl-2H-imidazole.
What is the SMILES notation for 1-but-2-enyl-3-prop-2-enyl-2H-imidazole?
The canonical SMILES for 1-but-2-enyl-3-prop-2-enyl-2H-imidazole is C=CCN1C=CN(CC=CC)C1.
What is the InChIKey of 1-but-2-enyl-3-prop-2-enyl-2H-imidazole?
The InChIKey is CYKASYMTSDDRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-5-7-12-9-8-11(10-12)6-4-2/h3-5,8-9H,2,6-7,10H2,1H3.
What are the key properties of 1-but-2-enyl-3-prop-2-enyl-2H-imidazole?
1-but-2-enyl-3-prop-2-enyl-2H-imidazole has a molecular weight of 164.25 g/mol, XLogP of 1.79, 4 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-prop-2-enyl-2H-imidazole is sourced from PubChem (CID 69014369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).