2-pent-2-enyl-4,5-dihydro-1H-imidazole

C8H14N2 — CID 90193128

IUPAC2-pent-2-enyl-4,5-dihydro-1H-imidazole
SMILESCCC=CCC1=NCCN1
InChIInChI=1S/C8H14N2/c1-2-3-4-5-8-9-6-7-10-8/h3-4H,2,5-7H2,1H3,(H,9,10)
InChIKeyXKXNLMVEMLBSFJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds3

About 2-pent-2-enyl-4,5-dihydro-1H-imidazole

2-pent-2-enyl-4,5-dihydro-1H-imidazole (PubChem CID 90193128) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-pent-2-enyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-pent-2-enyl-4,5-dihydro-1H-imidazole
PubChem CID90193128
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-pent-2-enyl-4,5-dihydro-1H-imidazole
SMILESCCC=CCC1=NCCN1
InChIInChI=1S/C8H14N2/c1-2-3-4-5-8-9-6-7-10-8/h3-4H,2,5-7H2,1H3,(H,9,10)
InChIKeyXKXNLMVEMLBSFJ-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 2-pent-2-enyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-pent-2-enyl-4,5-dihydro-1H-imidazole (CID 90193128) is 2-pent-2-enyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-pent-2-enyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-pent-2-enyl-4,5-dihydro-1H-imidazole is CCC=CCC1=NCCN1.
What is the InChIKey of 2-pent-2-enyl-4,5-dihydro-1H-imidazole?
The InChIKey is XKXNLMVEMLBSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-4-5-8-9-6-7-10-8/h3-4H,2,5-7H2,1H3,(H,9,10).
What are the key properties of 2-pent-2-enyl-4,5-dihydro-1H-imidazole?
2-pent-2-enyl-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 2-pent-2-enyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 90193128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).