3-methyl-3-phenyl-2H-furan-2-carboxamide

C12H13NO2 — CID 67702326

IUPAC3-methyl-3-phenyl-2H-furan-2-carboxamide
SMILESCC1(c2ccccc2)C=COC1C(N)=O
InChIInChI=1S/C12H13NO2/c1-12(9-5-3-2-4-6-9)7-8-15-10(12)11(13)14/h2-8,10H,1H3,(H2,13,14)
InChIKeyRBNOIXXYIJYIFK-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.34
Rot. Bonds2

About 3-methyl-3-phenyl-2H-furan-2-carboxamide

3-methyl-3-phenyl-2H-furan-2-carboxamide (PubChem CID 67702326) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-methyl-3-phenyl-2H-furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-2H-furan-2-carboxamide
PubChem CID67702326
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-methyl-3-phenyl-2H-furan-2-carboxamide
SMILESCC1(c2ccccc2)C=COC1C(N)=O
InChIInChI=1S/C12H13NO2/c1-12(9-5-3-2-4-6-9)7-8-15-10(12)11(13)14/h2-8,10H,1H3,(H2,13,14)
InChIKeyRBNOIXXYIJYIFK-UHFFFAOYSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-2H-furan-2-carboxamide?
The IUPAC name of 3-methyl-3-phenyl-2H-furan-2-carboxamide (CID 67702326) is 3-methyl-3-phenyl-2H-furan-2-carboxamide.
What is the SMILES notation for 3-methyl-3-phenyl-2H-furan-2-carboxamide?
The canonical SMILES for 3-methyl-3-phenyl-2H-furan-2-carboxamide is CC1(c2ccccc2)C=COC1C(N)=O.
What is the InChIKey of 3-methyl-3-phenyl-2H-furan-2-carboxamide?
The InChIKey is RBNOIXXYIJYIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(9-5-3-2-4-6-9)7-8-15-10(12)11(13)14/h2-8,10H,1H3,(H2,13,14).
What are the key properties of 3-methyl-3-phenyl-2H-furan-2-carboxamide?
3-methyl-3-phenyl-2H-furan-2-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-2H-furan-2-carboxamide is sourced from PubChem (CID 67702326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).