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

C6H10N2 — CID 143539521

IUPACmolecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole
SMILESC/C=C/c1cnc[nH]1.[H][H]
InChIInChI=1S/C6H8N2.H2/c1-2-3-6-4-7-5-8-6;/h2-5H,1H3,(H,7,8);1H/b3-2+;
InChIKeyNBAMIUVOQMLJLT-SQQVDAMQSA-N
MW110.16 g/mol
LogP1.69
Rot. Bonds1

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 Namemolecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole
PubChem CID143539521
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Namemolecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole
SMILESC/C=C/c1cnc[nH]1.[H][H]
InChIInChI=1S/C6H8N2.H2/c1-2-3-6-4-7-5-8-6;/h2-5H,1H3,(H,7,8);1H/b3-2+;
InChIKeyNBAMIUVOQMLJLT-SQQVDAMQSA-N
XLogP1.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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).