4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one

C11H12N2O3 — CID 11841005

IUPAC4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one
SMILES[H]/N=C1\C(=O)OCC1c1ccc(OC)cc1N
InChIInChI=1S/C11H12N2O3/c1-15-6-2-3-7(9(12)4-6)8-5-16-11(14)10(8)13/h2-4,8,13H,5,12H2,1H3/b13-10-
InChIKeyAJHHJOVJQOCCOM-RAXLEYEMSA-N
MW220.23 g/mol
LogP0.94
Rot. Bonds2

About 4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one

4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one (PubChem CID 11841005) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one.

Molecular Properties

Compound Name4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one
PubChem CID11841005
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one
SMILES[H]/N=C1\C(=O)OCC1c1ccc(OC)cc1N
InChIInChI=1S/C11H12N2O3/c1-15-6-2-3-7(9(12)4-6)8-5-16-11(14)10(8)13/h2-4,8,13H,5,12H2,1H3/b13-10-
InChIKeyAJHHJOVJQOCCOM-RAXLEYEMSA-N
XLogP0.94
TPSA85.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one?
The IUPAC name of 4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one (CID 11841005) is 4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one.
What is the SMILES notation for 4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one?
The canonical SMILES for 4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one is [H]/N=C1\C(=O)OCC1c1ccc(OC)cc1N.
What is the InChIKey of 4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one?
The InChIKey is AJHHJOVJQOCCOM-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-15-6-2-3-7(9(12)4-6)8-5-16-11(14)10(8)13/h2-4,8,13H,5,12H2,1H3/b13-10-.
What are the key properties of 4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one?
4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methoxyphenyl)-3-iminooxolan-2-one is sourced from PubChem (CID 11841005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).