[3-(5-oxopyrrolidin-3-yl)phenyl]azanium

C10H13N2O+ — CID 140682404

IUPAC[3-(5-oxopyrrolidin-3-yl)phenyl]azanium
SMILES[NH3+]c1cccc(C2CNC(=O)C2)c1
InChIInChI=1S/C10H12N2O/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13)/p+1
InChIKeyZZPPSRMRIPWGTL-UHFFFAOYSA-O
MW177.23 g/mol
LogP0.16
Rot. Bonds1

About [3-(5-oxopyrrolidin-3-yl)phenyl]azanium

[3-(5-oxopyrrolidin-3-yl)phenyl]azanium (PubChem CID 140682404) has the molecular formula C10H13N2O+ and a molecular weight of 177.23 g/mol. Its IUPAC name is [3-(5-oxopyrrolidin-3-yl)phenyl]azanium.

Molecular Properties

Compound Name[3-(5-oxopyrrolidin-3-yl)phenyl]azanium
PubChem CID140682404
Molecular FormulaC10H13N2O+
Molecular Weight177.23 g/mol
Exact Mass177.10
IUPAC Name[3-(5-oxopyrrolidin-3-yl)phenyl]azanium
SMILES[NH3+]c1cccc(C2CNC(=O)C2)c1
InChIInChI=1S/C10H12N2O/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13)/p+1
InChIKeyZZPPSRMRIPWGTL-UHFFFAOYSA-O
XLogP0.16
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(5-oxopyrrolidin-3-yl)phenyl]azanium?
The IUPAC name of [3-(5-oxopyrrolidin-3-yl)phenyl]azanium (CID 140682404) is [3-(5-oxopyrrolidin-3-yl)phenyl]azanium.
What is the SMILES notation for [3-(5-oxopyrrolidin-3-yl)phenyl]azanium?
The canonical SMILES for [3-(5-oxopyrrolidin-3-yl)phenyl]azanium is [NH3+]c1cccc(C2CNC(=O)C2)c1.
What is the InChIKey of [3-(5-oxopyrrolidin-3-yl)phenyl]azanium?
The InChIKey is ZZPPSRMRIPWGTL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12N2O/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13)/p+1.
What are the key properties of [3-(5-oxopyrrolidin-3-yl)phenyl]azanium?
[3-(5-oxopyrrolidin-3-yl)phenyl]azanium has a molecular weight of 177.23 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-oxopyrrolidin-3-yl)phenyl]azanium is sourced from PubChem (CID 140682404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).