5-methyl-2-oxo-5-phenylfuran-3-carboxamide

C12H11NO3 — CID 13400429

IUPAC5-methyl-2-oxo-5-phenylfuran-3-carboxamide
SMILESCC1(c2ccccc2)C=C(C(N)=O)C(=O)O1
InChIInChI=1S/C12H11NO3/c1-12(8-5-3-2-4-6-8)7-9(10(13)14)11(15)16-12/h2-7H,1H3,(H2,13,14)
InChIKeyIYZAWOKPPRADPW-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.87
Rot. Bonds2

About 5-methyl-2-oxo-5-phenylfuran-3-carboxamide

5-methyl-2-oxo-5-phenylfuran-3-carboxamide (PubChem CID 13400429) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-methyl-2-oxo-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-oxo-5-phenylfuran-3-carboxamide
PubChem CID13400429
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-methyl-2-oxo-5-phenylfuran-3-carboxamide
SMILESCC1(c2ccccc2)C=C(C(N)=O)C(=O)O1
InChIInChI=1S/C12H11NO3/c1-12(8-5-3-2-4-6-8)7-9(10(13)14)11(15)16-12/h2-7H,1H3,(H2,13,14)
InChIKeyIYZAWOKPPRADPW-UHFFFAOYSA-N
XLogP0.87
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-5-phenylfuran-3-carboxamide?
The IUPAC name of 5-methyl-2-oxo-5-phenylfuran-3-carboxamide (CID 13400429) is 5-methyl-2-oxo-5-phenylfuran-3-carboxamide.
What is the SMILES notation for 5-methyl-2-oxo-5-phenylfuran-3-carboxamide?
The canonical SMILES for 5-methyl-2-oxo-5-phenylfuran-3-carboxamide is CC1(c2ccccc2)C=C(C(N)=O)C(=O)O1.
What is the InChIKey of 5-methyl-2-oxo-5-phenylfuran-3-carboxamide?
The InChIKey is IYZAWOKPPRADPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-12(8-5-3-2-4-6-8)7-9(10(13)14)11(15)16-12/h2-7H,1H3,(H2,13,14).
What are the key properties of 5-methyl-2-oxo-5-phenylfuran-3-carboxamide?
5-methyl-2-oxo-5-phenylfuran-3-carboxamide has a molecular weight of 217.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 13400429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).