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

C11H19N3O — CID 79967690

IUPAC5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1CCCCC
InChIInChI=1S/C11H19N3O/c1-3-5-6-7-9-10(12)13-11(15)14(9)8-4-2/h4,9H,2-3,5-8H2,1H3,(H2,12,13,15)
InChIKeyRNXYWXKVIWJXFT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.91
Rot. Bonds6

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

5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one (PubChem CID 79967690) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one
PubChem CID79967690
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one
SMILESC=CCN1C(=O)N=C(N)C1CCCCC
InChIInChI=1S/C11H19N3O/c1-3-5-6-7-9-10(12)13-11(15)14(9)8-4-2/h4,9H,2-3,5-8H2,1H3,(H2,12,13,15)
InChIKeyRNXYWXKVIWJXFT-UHFFFAOYSA-N
XLogP1.91
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one (CID 79967690) is 5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one is C=CCN1C(=O)N=C(N)C1CCCCC.
What is the InChIKey of 5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one?
The InChIKey is RNXYWXKVIWJXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-6-7-9-10(12)13-11(15)14(9)8-4-2/h4,9H,2-3,5-8H2,1H3,(H2,12,13,15).
What are the key properties of 5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one?
5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-pentyl-3-prop-2-enyl-4H-imidazol-2-one is sourced from PubChem (CID 79967690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).