4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one

C9H14N4O2 — CID 79959644

IUPAC4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1CC(=O)N1CCCC1
InChIInChI=1S/C9H14N4O2/c10-8-6(11-9(15)12-8)5-7(14)13-3-1-2-4-13/h6H,1-5H2,(H3,10,11,12,15)
InChIKeyQBCANMWPKHIAPI-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.55
Rot. Bonds2

About 4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one

4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one (PubChem CID 79959644) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one
PubChem CID79959644
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one
SMILESNC1=NC(=O)NC1CC(=O)N1CCCC1
InChIInChI=1S/C9H14N4O2/c10-8-6(11-9(15)12-8)5-7(14)13-3-1-2-4-13/h6H,1-5H2,(H3,10,11,12,15)
InChIKeyQBCANMWPKHIAPI-UHFFFAOYSA-N
XLogP-0.55
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one?
The IUPAC name of 4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one (CID 79959644) is 4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one is NC1=NC(=O)NC1CC(=O)N1CCCC1.
What is the InChIKey of 4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one?
The InChIKey is QBCANMWPKHIAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-8-6(11-9(15)12-8)5-7(14)13-3-1-2-4-13/h6H,1-5H2,(H3,10,11,12,15).
What are the key properties of 4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one?
4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one has a molecular weight of 210.24 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-dihydroimidazol-2-one is sourced from PubChem (CID 79959644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).