4-(2-aminoanilino)-6-methyloxan-2-one

C12H16N2O2 — CID 71412806

IUPAC4-(2-aminoanilino)-6-methyloxan-2-one
SMILESCC1CC(Nc2ccccc2N)CC(=O)O1
InChIInChI=1S/C12H16N2O2/c1-8-6-9(7-12(15)16-8)14-11-5-3-2-4-10(11)13/h2-5,8-9,14H,6-7,13H2,1H3
InChIKeyXKIJFEXOEGZMOH-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.77
Rot. Bonds2

About 4-(2-aminoanilino)-6-methyloxan-2-one

4-(2-aminoanilino)-6-methyloxan-2-one (PubChem CID 71412806) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(2-aminoanilino)-6-methyloxan-2-one.

Molecular Properties

Compound Name4-(2-aminoanilino)-6-methyloxan-2-one
PubChem CID71412806
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(2-aminoanilino)-6-methyloxan-2-one
SMILESCC1CC(Nc2ccccc2N)CC(=O)O1
InChIInChI=1S/C12H16N2O2/c1-8-6-9(7-12(15)16-8)14-11-5-3-2-4-10(11)13/h2-5,8-9,14H,6-7,13H2,1H3
InChIKeyXKIJFEXOEGZMOH-UHFFFAOYSA-N
XLogP1.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-aminoanilino)-6-methyloxan-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 4-(2-aminoanilino)-6-methyloxan-2-one?
The IUPAC name of 4-(2-aminoanilino)-6-methyloxan-2-one (CID 71412806) is 4-(2-aminoanilino)-6-methyloxan-2-one.
What is the SMILES notation for 4-(2-aminoanilino)-6-methyloxan-2-one?
The canonical SMILES for 4-(2-aminoanilino)-6-methyloxan-2-one is CC1CC(Nc2ccccc2N)CC(=O)O1.
What is the InChIKey of 4-(2-aminoanilino)-6-methyloxan-2-one?
The InChIKey is XKIJFEXOEGZMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-6-9(7-12(15)16-8)14-11-5-3-2-4-10(11)13/h2-5,8-9,14H,6-7,13H2,1H3.
What are the key properties of 4-(2-aminoanilino)-6-methyloxan-2-one?
4-(2-aminoanilino)-6-methyloxan-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoanilino)-6-methyloxan-2-one is sourced from PubChem (CID 71412806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).