3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one

C7H9N3O2 — CID 106186464

IUPAC3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one
SMILESO=C1CC(n2cc[nH]c2=O)CN1
InChIInChI=1S/C7H9N3O2/c11-6-3-5(4-9-6)10-2-1-8-7(10)12/h1-2,5H,3-4H2,(H,8,12)(H,9,11)
InChIKeyAUSCKGSDQFEKBO-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.76
Rot. Bonds1

About 3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one

3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one (PubChem CID 106186464) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one
PubChem CID106186464
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one
SMILESO=C1CC(n2cc[nH]c2=O)CN1
InChIInChI=1S/C7H9N3O2/c11-6-3-5(4-9-6)10-2-1-8-7(10)12/h1-2,5H,3-4H2,(H,8,12)(H,9,11)
InChIKeyAUSCKGSDQFEKBO-UHFFFAOYSA-N
XLogP-0.76
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one (CID 106186464) is 3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one is O=C1CC(n2cc[nH]c2=O)CN1.
What is the InChIKey of 3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one?
The InChIKey is AUSCKGSDQFEKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-6-3-5(4-9-6)10-2-1-8-7(10)12/h1-2,5H,3-4H2,(H,8,12)(H,9,11).
What are the key properties of 3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one?
3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one has a molecular weight of 167.17 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxopyrrolidin-3-yl)-1H-imidazol-2-one is sourced from PubChem (CID 106186464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).