furan-2-yl-[2-(methylamino)phenyl]methanone

C12H11NO2 — CID 135049847

IUPACfuran-2-yl-[2-(methylamino)phenyl]methanone
SMILESCNc1ccccc1C(=O)c1ccco1
InChIInChI=1S/C12H11NO2/c1-13-10-6-3-2-5-9(10)12(14)11-7-4-8-15-11/h2-8,13H,1H3
InChIKeyFMKYRZMCCQOTHA-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.55
Rot. Bonds3

About furan-2-yl-[2-(methylamino)phenyl]methanone

furan-2-yl-[2-(methylamino)phenyl]methanone (PubChem CID 135049847) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is furan-2-yl-[2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-(methylamino)phenyl]methanone
PubChem CID135049847
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namefuran-2-yl-[2-(methylamino)phenyl]methanone
SMILESCNc1ccccc1C(=O)c1ccco1
InChIInChI=1S/C12H11NO2/c1-13-10-6-3-2-5-9(10)12(14)11-7-4-8-15-11/h2-8,13H,1H3
InChIKeyFMKYRZMCCQOTHA-UHFFFAOYSA-N
XLogP2.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-(methylamino)phenyl]methanone?
The IUPAC name of furan-2-yl-[2-(methylamino)phenyl]methanone (CID 135049847) is furan-2-yl-[2-(methylamino)phenyl]methanone.
What is the SMILES notation for furan-2-yl-[2-(methylamino)phenyl]methanone?
The canonical SMILES for furan-2-yl-[2-(methylamino)phenyl]methanone is CNc1ccccc1C(=O)c1ccco1.
What is the InChIKey of furan-2-yl-[2-(methylamino)phenyl]methanone?
The InChIKey is FMKYRZMCCQOTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-13-10-6-3-2-5-9(10)12(14)11-7-4-8-15-11/h2-8,13H,1H3.
What are the key properties of furan-2-yl-[2-(methylamino)phenyl]methanone?
furan-2-yl-[2-(methylamino)phenyl]methanone has a molecular weight of 201.22 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-(methylamino)phenyl]methanone is sourced from PubChem (CID 135049847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).