4-amino-5-methyl-5-phenylfuran-2-one

C11H11NO2 — CID 13433589

IUPAC4-amino-5-methyl-5-phenylfuran-2-one
SMILESCC1(c2ccccc2)OC(=O)C=C1N
InChIInChI=1S/C11H11NO2/c1-11(8-5-3-2-4-6-8)9(12)7-10(13)14-11/h2-7H,12H2,1H3
InChIKeyKLGGVPOZOFYIGE-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.30
Rot. Bonds1

About 4-amino-5-methyl-5-phenylfuran-2-one

4-amino-5-methyl-5-phenylfuran-2-one (PubChem CID 13433589) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-amino-5-methyl-5-phenylfuran-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-5-phenylfuran-2-one
PubChem CID13433589
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-amino-5-methyl-5-phenylfuran-2-one
SMILESCC1(c2ccccc2)OC(=O)C=C1N
InChIInChI=1S/C11H11NO2/c1-11(8-5-3-2-4-6-8)9(12)7-10(13)14-11/h2-7H,12H2,1H3
InChIKeyKLGGVPOZOFYIGE-UHFFFAOYSA-N
XLogP1.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-5-methyl-5-phenylfuran-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-amino-5-methyl-5-phenylfuran-2-one?
The IUPAC name of 4-amino-5-methyl-5-phenylfuran-2-one (CID 13433589) is 4-amino-5-methyl-5-phenylfuran-2-one.
What is the SMILES notation for 4-amino-5-methyl-5-phenylfuran-2-one?
The canonical SMILES for 4-amino-5-methyl-5-phenylfuran-2-one is CC1(c2ccccc2)OC(=O)C=C1N.
What is the InChIKey of 4-amino-5-methyl-5-phenylfuran-2-one?
The InChIKey is KLGGVPOZOFYIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-11(8-5-3-2-4-6-8)9(12)7-10(13)14-11/h2-7H,12H2,1H3.
What are the key properties of 4-amino-5-methyl-5-phenylfuran-2-one?
4-amino-5-methyl-5-phenylfuran-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-5-phenylfuran-2-one is sourced from PubChem (CID 13433589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).