5-(2-methylphenyl)iminofuran-2-one

C11H9NO2 — CID 15134475

IUPAC5-(2-methylphenyl)iminofuran-2-one
SMILESCc1ccccc1/N=C1\C=CC(=O)O1
InChIInChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)12-10-6-7-11(13)14-10/h2-7H,1H3/b12-10+
InChIKeyLKAAETDUTUBHIR-ZRDIBKRKSA-N
MW187.20 g/mol
LogP2.14
Rot. Bonds1

About 5-(2-methylphenyl)iminofuran-2-one

5-(2-methylphenyl)iminofuran-2-one (PubChem CID 15134475) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-(2-methylphenyl)iminofuran-2-one.

Molecular Properties

Compound Name5-(2-methylphenyl)iminofuran-2-one
PubChem CID15134475
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name5-(2-methylphenyl)iminofuran-2-one
SMILESCc1ccccc1/N=C1\C=CC(=O)O1
InChIInChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)12-10-6-7-11(13)14-10/h2-7H,1H3/b12-10+
InChIKeyLKAAETDUTUBHIR-ZRDIBKRKSA-N
XLogP2.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)iminofuran-2-one?
The IUPAC name of 5-(2-methylphenyl)iminofuran-2-one (CID 15134475) is 5-(2-methylphenyl)iminofuran-2-one.
What is the SMILES notation for 5-(2-methylphenyl)iminofuran-2-one?
The canonical SMILES for 5-(2-methylphenyl)iminofuran-2-one is Cc1ccccc1/N=C1\C=CC(=O)O1.
What is the InChIKey of 5-(2-methylphenyl)iminofuran-2-one?
The InChIKey is LKAAETDUTUBHIR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H9NO2/c1-8-4-2-3-5-9(8)12-10-6-7-11(13)14-10/h2-7H,1H3/b12-10+.
What are the key properties of 5-(2-methylphenyl)iminofuran-2-one?
5-(2-methylphenyl)iminofuran-2-one has a molecular weight of 187.20 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)iminofuran-2-one is sourced from PubChem (CID 15134475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).