5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine

C6H11N3 — CID 68852810

IUPAC5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCC1CN=C(N)N1
InChIInChI=1S/C6H11N3/c1-2-3-5-4-8-6(7)9-5/h2,5H,1,3-4H2,(H3,7,8,9)
InChIKeyXISCHOFTQDYPGL-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.15
Rot. Bonds2

About 5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine

5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 68852810) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID68852810
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCC1CN=C(N)N1
InChIInChI=1S/C6H11N3/c1-2-3-5-4-8-6(7)9-5/h2,5H,1,3-4H2,(H3,7,8,9)
InChIKeyXISCHOFTQDYPGL-UHFFFAOYSA-N
XLogP-0.15
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
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 5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine (CID 68852810) is 5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine is C=CCC1CN=C(N)N1.
What is the InChIKey of 5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is XISCHOFTQDYPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-3-5-4-8-6(7)9-5/h2,5H,1,3-4H2,(H3,7,8,9).
What are the key properties of 5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 125.17 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 68852810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).