Molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole

C₆H₁₀N₂ — CID 143539521

About Molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole

Molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole (PubChem CID 143539521) has the molecular formula C₆H₁₀N₂ and a molecular weight of 110.16 g/mol. Its IUPAC name is molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole.

Molecular Properties

• Compound Name: Molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole
• PubChem CID: 143539521
• Molecular Formula: C₆H₁₀N₂
• Molecular Weight: 110.16 g/mol
• Exact Mass: 110.08
• IUPAC Name: molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole
• SMILES: C/C=C/c1cnc[nH]1.[H][H]
• InChI: InChI=1S/C6H8N2.H2/c1-2-3-6-4-7-5-8-6;/h2-5H,1H3,(H,7,8);1H/b3-2+
• InChIKey: NBAMIUVOQMLJLT-SQQVDAMQSA-N
• XLogP: 1.69
• TPSA: 28.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	110.16
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole?

The IUPAC name of Molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole (CID 143539521) is molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole.

What is the SMILES notation for Molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole?

The canonical SMILES for Molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole is C/C=C/c1cnc[nH]1.[H][H].

What is the InChIKey of Molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole?

The InChIKey is NBAMIUVOQMLJLT-SQQVDAMQSA-N. The full InChI is InChI=1S/C6H8N2.H2/c1-2-3-6-4-7-5-8-6;/h2-5H,1H3,(H,7,8);1H/b3-2+;.

What are the key properties of Molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole?

Molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole has a molecular weight of 110.16 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole is sourced from PubChem (CID 143539521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143539521 — identifiers, structure, computed properties (public domain)

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