5-(4-chloro-2-methylphenyl)iminofuran-2-one

C11H8ClNO2 — CID 12512017

IUPAC5-(4-chloro-2-methylphenyl)iminofuran-2-one
SMILESCc1cc(Cl)ccc1/N=C1\C=CC(=O)O1
InChIInChI=1S/C11H8ClNO2/c1-7-6-8(12)2-3-9(7)13-10-4-5-11(14)15-10/h2-6H,1H3/b13-10+
InChIKeyMASTWVPTKBSTKU-JLHYYAGUSA-N
MW221.64 g/mol
LogP2.79
Rot. Bonds1

About 5-(4-chloro-2-methylphenyl)iminofuran-2-one

5-(4-chloro-2-methylphenyl)iminofuran-2-one (PubChem CID 12512017) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 5-(4-chloro-2-methylphenyl)iminofuran-2-one.

Molecular Properties

Compound Name5-(4-chloro-2-methylphenyl)iminofuran-2-one
PubChem CID12512017
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name5-(4-chloro-2-methylphenyl)iminofuran-2-one
SMILESCc1cc(Cl)ccc1/N=C1\C=CC(=O)O1
InChIInChI=1S/C11H8ClNO2/c1-7-6-8(12)2-3-9(7)13-10-4-5-11(14)15-10/h2-6H,1H3/b13-10+
InChIKeyMASTWVPTKBSTKU-JLHYYAGUSA-N
XLogP2.79
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.79
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-(4-chloro-2-methylphenyl)iminofuran-2-one?
The IUPAC name of 5-(4-chloro-2-methylphenyl)iminofuran-2-one (CID 12512017) is 5-(4-chloro-2-methylphenyl)iminofuran-2-one.
What is the SMILES notation for 5-(4-chloro-2-methylphenyl)iminofuran-2-one?
The canonical SMILES for 5-(4-chloro-2-methylphenyl)iminofuran-2-one is Cc1cc(Cl)ccc1/N=C1\C=CC(=O)O1.
What is the InChIKey of 5-(4-chloro-2-methylphenyl)iminofuran-2-one?
The InChIKey is MASTWVPTKBSTKU-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H8ClNO2/c1-7-6-8(12)2-3-9(7)13-10-4-5-11(14)15-10/h2-6H,1H3/b13-10+.
What are the key properties of 5-(4-chloro-2-methylphenyl)iminofuran-2-one?
5-(4-chloro-2-methylphenyl)iminofuran-2-one has a molecular weight of 221.64 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylphenyl)iminofuran-2-one is sourced from PubChem (CID 12512017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).