5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one

C12H20N4O2 — CID 79960864

IUPAC5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1CC(=O)N1CCCC1
InChIInChI=1S/C12H20N4O2/c1-2-5-16-9(11(13)14-12(16)18)8-10(17)15-6-3-4-7-15/h9H,2-8H2,1H3,(H2,13,14,18)
InChIKeyWFFFONROBWXCEQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.57
Rot. Bonds4

About 5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one

5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one (PubChem CID 79960864) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one
PubChem CID79960864
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1CC(=O)N1CCCC1
InChIInChI=1S/C12H20N4O2/c1-2-5-16-9(11(13)14-12(16)18)8-10(17)15-6-3-4-7-15/h9H,2-8H2,1H3,(H2,13,14,18)
InChIKeyWFFFONROBWXCEQ-UHFFFAOYSA-N
XLogP0.57
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one (CID 79960864) is 5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1CC(=O)N1CCCC1.
What is the InChIKey of 5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is WFFFONROBWXCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-5-16-9(11(13)14-12(16)18)8-10(17)15-6-3-4-7-15/h9H,2-8H2,1H3,(H2,13,14,18).
What are the key properties of 5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 252.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79960864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).