3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole

C10H18N2 — CID 69137473

IUPAC3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole
SMILESCC/C=C(\CC)CN1C=CNC1
InChIInChI=1S/C10H18N2/c1-3-5-10(4-2)8-12-7-6-11-9-12/h5-7,11H,3-4,8-9H2,1-2H3/b10-5+
InChIKeySBGYTEAJNDVBEO-BJMVGYQFSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds4

About 3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole

3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole (PubChem CID 69137473) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole
PubChem CID69137473
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole
SMILESCC/C=C(\CC)CN1C=CNC1
InChIInChI=1S/C10H18N2/c1-3-5-10(4-2)8-12-7-6-11-9-12/h5-7,11H,3-4,8-9H2,1-2H3/b10-5+
InChIKeySBGYTEAJNDVBEO-BJMVGYQFSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.07
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-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole?
The IUPAC name of 3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole (CID 69137473) is 3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole.
What is the SMILES notation for 3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole?
The canonical SMILES for 3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole is CC/C=C(\CC)CN1C=CNC1.
What is the InChIKey of 3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole?
The InChIKey is SBGYTEAJNDVBEO-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-10(4-2)8-12-7-6-11-9-12/h5-7,11H,3-4,8-9H2,1-2H3/b10-5+.
What are the key properties of 3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole?
3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole has a molecular weight of 166.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-ethylpent-2-enyl]-1,2-dihydroimidazole is sourced from PubChem (CID 69137473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).