1-[(E)-but-2-enyl]imidazol-2-amine

C7H11N3 — CID 131607120

IUPAC1-[(E)-but-2-enyl]imidazol-2-amine
SMILESC/C=C/Cn1ccnc1N
InChIInChI=1S/C7H11N3/c1-2-3-5-10-6-4-9-7(10)8/h2-4,6H,5H2,1H3,(H2,8,9)/b3-2+
InChIKeyFZXWNRKFGPVVGP-NSCUHMNNSA-N
MW137.19 g/mol
LogP1.04
Rot. Bonds2

About 1-[(E)-but-2-enyl]imidazol-2-amine

1-[(E)-but-2-enyl]imidazol-2-amine (PubChem CID 131607120) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]imidazol-2-amine
PubChem CID131607120
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-[(E)-but-2-enyl]imidazol-2-amine
SMILESC/C=C/Cn1ccnc1N
InChIInChI=1S/C7H11N3/c1-2-3-5-10-6-4-9-7(10)8/h2-4,6H,5H2,1H3,(H2,8,9)/b3-2+
InChIKeyFZXWNRKFGPVVGP-NSCUHMNNSA-N
XLogP1.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoimidazol-1-yl)-2-methylpropan-2-ol
CID 165463249
1-butylimidazol-2-amine
CID 60860613
1-[(E)-but-2-enyl]-2-thiophen-2-ylimidazole
CID 116621633
1-pentylimidazol-2-amine
CID 61354351
4-(2-aminoimidazol-1-yl)butanal
CID 55253480
1-[(3-methylcyclobutyl)methyl]imidazol-2-amine
CID 165481541
1-[(E)-but-2-enyl]pyrazol-3-amine
CID 107900518
1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581041
1-(2-methoxybutyl)imidazol-2-amine
CID 165482307
1-[(2-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 114554203
1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine
CID 60861612
7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131232949

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]imidazol-2-amine?
The IUPAC name of 1-[(E)-but-2-enyl]imidazol-2-amine (CID 131607120) is 1-[(E)-but-2-enyl]imidazol-2-amine.
What is the SMILES notation for 1-[(E)-but-2-enyl]imidazol-2-amine?
The canonical SMILES for 1-[(E)-but-2-enyl]imidazol-2-amine is C/C=C/Cn1ccnc1N.
What is the InChIKey of 1-[(E)-but-2-enyl]imidazol-2-amine?
The InChIKey is FZXWNRKFGPVVGP-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-5-10-6-4-9-7(10)8/h2-4,6H,5H2,1H3,(H2,8,9)/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]imidazol-2-amine?
1-[(E)-but-2-enyl]imidazol-2-amine has a molecular weight of 137.19 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]imidazol-2-amine is sourced from PubChem (CID 131607120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).