3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one

C8H9N3O2 — CID 135538369

IUPAC3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/N=C/c1ccc[nH]1
InChIInChI=1S/C8H9N3O2/c12-8-11(4-5-13-8)10-6-7-2-1-3-9-7/h1-3,6,9H,4-5H2/b10-6+
InChIKeyQWOQJUYHYZFKOW-UXBLZVDNSA-N
MW179.18 g/mol
LogP0.80
Rot. Bonds2

About 3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one

3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one (PubChem CID 135538369) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one
PubChem CID135538369
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/N=C/c1ccc[nH]1
InChIInChI=1S/C8H9N3O2/c12-8-11(4-5-13-8)10-6-7-2-1-3-9-7/h1-3,6,9H,4-5H2/b10-6+
InChIKeyQWOQJUYHYZFKOW-UXBLZVDNSA-N
XLogP0.80
TPSA57.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one (CID 135538369) is 3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one is O=C1OCCN1/N=C/c1ccc[nH]1.
What is the InChIKey of 3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one?
The InChIKey is QWOQJUYHYZFKOW-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-8-11(4-5-13-8)10-6-7-2-1-3-9-7/h1-3,6,9H,4-5H2/b10-6+.
What are the key properties of 3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one?
3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one has a molecular weight of 179.18 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135538369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).