3-(2-amino-4-methylanilino)-2H-furan-5-one

C11H12N2O2 — CID 10867422

IUPAC3-(2-amino-4-methylanilino)-2H-furan-5-one
SMILESCc1ccc(NC2=CC(=O)OC2)c(N)c1
InChIInChI=1S/C11H12N2O2/c1-7-2-3-10(9(12)4-7)13-8-5-11(14)15-6-8/h2-5,13H,6,12H2,1H3
InChIKeyKPSKSJRLMVEMKJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.43
Rot. Bonds2

About 3-(2-amino-4-methylanilino)-2H-furan-5-one

3-(2-amino-4-methylanilino)-2H-furan-5-one (PubChem CID 10867422) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(2-amino-4-methylanilino)-2H-furan-5-one.

Molecular Properties

Compound Name3-(2-amino-4-methylanilino)-2H-furan-5-one
PubChem CID10867422
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(2-amino-4-methylanilino)-2H-furan-5-one
SMILESCc1ccc(NC2=CC(=O)OC2)c(N)c1
InChIInChI=1S/C11H12N2O2/c1-7-2-3-10(9(12)4-7)13-8-5-11(14)15-6-8/h2-5,13H,6,12H2,1H3
InChIKeyKPSKSJRLMVEMKJ-UHFFFAOYSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methylanilino)-2H-furan-5-one?
The IUPAC name of 3-(2-amino-4-methylanilino)-2H-furan-5-one (CID 10867422) is 3-(2-amino-4-methylanilino)-2H-furan-5-one.
What is the SMILES notation for 3-(2-amino-4-methylanilino)-2H-furan-5-one?
The canonical SMILES for 3-(2-amino-4-methylanilino)-2H-furan-5-one is Cc1ccc(NC2=CC(=O)OC2)c(N)c1.
What is the InChIKey of 3-(2-amino-4-methylanilino)-2H-furan-5-one?
The InChIKey is KPSKSJRLMVEMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-2-3-10(9(12)4-7)13-8-5-11(14)15-6-8/h2-5,13H,6,12H2,1H3.
What are the key properties of 3-(2-amino-4-methylanilino)-2H-furan-5-one?
3-(2-amino-4-methylanilino)-2H-furan-5-one has a molecular weight of 204.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methylanilino)-2H-furan-5-one is sourced from PubChem (CID 10867422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).