2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one

C6H9N3O — CID 83136998

IUPAC2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one
SMILESC=CCC1N=C(N)NC1=O
InChIInChI=1S/C6H9N3O/c1-2-3-4-5(10)9-6(7)8-4/h2,4H,1,3H2,(H3,7,8,9,10)
InChIKeyPHXXWSCPLIIPIV-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.62
Rot. Bonds2

About 2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one

2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one (PubChem CID 83136998) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one
PubChem CID83136998
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one
SMILESC=CCC1N=C(N)NC1=O
InChIInChI=1S/C6H9N3O/c1-2-3-4-5(10)9-6(7)8-4/h2,4H,1,3H2,(H3,7,8,9,10)
InChIKeyPHXXWSCPLIIPIV-UHFFFAOYSA-N
XLogP-0.62
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.62
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 2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one (CID 83136998) is 2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one is C=CCC1N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one?
The InChIKey is PHXXWSCPLIIPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-3-4-5(10)9-6(7)8-4/h2,4H,1,3H2,(H3,7,8,9,10).
What are the key properties of 2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one?
2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one has a molecular weight of 139.16 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-prop-2-enyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 83136998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).