5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one

C9H15N3O — CID 79968175

IUPAC5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1CCC
InChIInChI=1S/C9H15N3O/c1-3-5-7-8(10)11-9(13)12(7)6-4-2/h4,7H,2-3,5-6H2,1H3,(H2,10,11,13)
InChIKeyVFKORWGCEITYNE-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.13
Rot. Bonds4

About 5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one

5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one (PubChem CID 79968175) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one
PubChem CID79968175
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1CCC
InChIInChI=1S/C9H15N3O/c1-3-5-7-8(10)11-9(13)12(7)6-4-2/h4,7H,2-3,5-6H2,1H3,(H2,10,11,13)
InChIKeyVFKORWGCEITYNE-UHFFFAOYSA-N
XLogP1.13
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one (CID 79968175) is 5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one is C=CCN1C(=O)N=C(N)C1CCC.
What is the InChIKey of 5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one?
The InChIKey is VFKORWGCEITYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-5-7-8(10)11-9(13)12(7)6-4-2/h4,7H,2-3,5-6H2,1H3,(H2,10,11,13).
What are the key properties of 5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one?
5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-prop-2-enyl-4-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79968175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).