1-prop-2-enyl-4,5-dihydroimidazol-2-amine

C6H11N3 — CID 68852808

IUPAC1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1CCN=C1N
InChIInChI=1S/C6H11N3/c1-2-4-9-5-3-8-6(9)7/h2H,1,3-5H2,(H2,7,8)
InChIKeyMOBOCPDCLUOFNA-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.20
Rot. Bonds2

About 1-prop-2-enyl-4,5-dihydroimidazol-2-amine

1-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 68852808) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID68852808
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1CCN=C1N
InChIInChI=1S/C6H11N3/c1-2-4-9-5-3-8-6(9)7/h2H,1,3-5H2,(H2,7,8)
InChIKeyMOBOCPDCLUOFNA-UHFFFAOYSA-N
XLogP-0.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 68852808) is 1-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCN1CCN=C1N.
What is the InChIKey of 1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is MOBOCPDCLUOFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-4-9-5-3-8-6(9)7/h2H,1,3-5H2,(H2,7,8).
What are the key properties of 1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
1-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 125.17 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 68852808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).