1-[(E)-prop-1-enyl]-4,5-dihydroimidazole

C6H10N2 — CID 87143751

IUPAC1-[(E)-prop-1-enyl]-4,5-dihydroimidazole
SMILESC/C=C/N1C=NCC1
InChIInChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h2,4,6H,3,5H2,1H3/b4-2+
InChIKeyXYXKGFAXOACTEE-DUXPYHPUSA-N
MW110.16 g/mol
LogP0.86
Rot. Bonds1

About 1-[(E)-prop-1-enyl]-4,5-dihydroimidazole

1-[(E)-prop-1-enyl]-4,5-dihydroimidazole (PubChem CID 87143751) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-4,5-dihydroimidazole
PubChem CID87143751
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-[(E)-prop-1-enyl]-4,5-dihydroimidazole
SMILESC/C=C/N1C=NCC1
InChIInChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h2,4,6H,3,5H2,1H3/b4-2+
InChIKeyXYXKGFAXOACTEE-DUXPYHPUSA-N
XLogP0.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(E)-prop-1-enyl]-4,5-dihydroimidazole (CID 87143751) is 1-[(E)-prop-1-enyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(E)-prop-1-enyl]-4,5-dihydroimidazole is C/C=C/N1C=NCC1.
What is the InChIKey of 1-[(E)-prop-1-enyl]-4,5-dihydroimidazole?
The InChIKey is XYXKGFAXOACTEE-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h2,4,6H,3,5H2,1H3/b4-2+.
What are the key properties of 1-[(E)-prop-1-enyl]-4,5-dihydroimidazole?
1-[(E)-prop-1-enyl]-4,5-dihydroimidazole has a molecular weight of 110.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]-4,5-dihydroimidazole is sourced from PubChem (CID 87143751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).