3-but-3-enyl-1,2-dihydroimidazole

C7H12N2 — CID 67547773

IUPAC3-but-3-enyl-1,2-dihydroimidazole
SMILESC=CCCN1C=CNC1
InChIInChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h2,4,6,8H,1,3,5,7H2
InChIKeyRZZHIOSARVNDIE-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.90
Rot. Bonds3

About 3-but-3-enyl-1,2-dihydroimidazole

3-but-3-enyl-1,2-dihydroimidazole (PubChem CID 67547773) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-but-3-enyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-but-3-enyl-1,2-dihydroimidazole
PubChem CID67547773
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-but-3-enyl-1,2-dihydroimidazole
SMILESC=CCCN1C=CNC1
InChIInChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h2,4,6,8H,1,3,5,7H2
InChIKeyRZZHIOSARVNDIE-UHFFFAOYSA-N
XLogP0.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
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 3-but-3-enyl-1,2-dihydroimidazole?
The IUPAC name of 3-but-3-enyl-1,2-dihydroimidazole (CID 67547773) is 3-but-3-enyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-but-3-enyl-1,2-dihydroimidazole?
The canonical SMILES for 3-but-3-enyl-1,2-dihydroimidazole is C=CCCN1C=CNC1.
What is the InChIKey of 3-but-3-enyl-1,2-dihydroimidazole?
The InChIKey is RZZHIOSARVNDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h2,4,6,8H,1,3,5,7H2.
What are the key properties of 3-but-3-enyl-1,2-dihydroimidazole?
3-but-3-enyl-1,2-dihydroimidazole has a molecular weight of 124.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-1,2-dihydroimidazole is sourced from PubChem (CID 67547773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).