5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole

C8H14N2 — CID 67315808

IUPAC5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole
SMILESC=CC1CN=C(CCC)N1
InChIInChI=1S/C8H14N2/c1-3-5-8-9-6-7(4-2)10-8/h4,7H,2-3,5-6H2,1H3,(H,9,10)
InChIKeyOIKFZKFEJOMFQD-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds3

About 5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole

5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole (PubChem CID 67315808) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole
PubChem CID67315808
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole
SMILESC=CC1CN=C(CCC)N1
InChIInChI=1S/C8H14N2/c1-3-5-8-9-6-7(4-2)10-8/h4,7H,2-3,5-6H2,1H3,(H,9,10)
InChIKeyOIKFZKFEJOMFQD-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
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 5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole (CID 67315808) is 5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole is C=CC1CN=C(CCC)N1.
What is the InChIKey of 5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole?
The InChIKey is OIKFZKFEJOMFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-5-8-9-6-7(4-2)10-8/h4,7H,2-3,5-6H2,1H3,(H,9,10).
What are the key properties of 5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole?
5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole has a molecular weight of 138.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-propyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 67315808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).