(E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide

C15H15NO2 — CID 127034027

IUPAC(E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide
SMILESC/C(=C\c1ccc(-c2ccc(C)cc2)o1)C(N)=O
InChIInChI=1S/C15H15NO2/c1-10-3-5-12(6-4-10)14-8-7-13(18-14)9-11(2)15(16)17/h3-9H,1-2H3,(H2,16,17)/b11-9+
InChIKeyUGJRREJXCIRZKJ-PKNBQFBNSA-N
MW241.29 g/mol
LogP3.14
Rot. Bonds3

About (E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide

(E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide (PubChem CID 127034027) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide
PubChem CID127034027
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide
SMILESC/C(=C\c1ccc(-c2ccc(C)cc2)o1)C(N)=O
InChIInChI=1S/C15H15NO2/c1-10-3-5-12(6-4-10)14-8-7-13(18-14)9-11(2)15(16)17/h3-9H,1-2H3,(H2,16,17)/b11-9+
InChIKeyUGJRREJXCIRZKJ-PKNBQFBNSA-N
XLogP3.14
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide (CID 127034027) is (E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide is C/C(=C\c1ccc(-c2ccc(C)cc2)o1)C(N)=O.
What is the InChIKey of (E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide?
The InChIKey is UGJRREJXCIRZKJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-3-5-12(6-4-10)14-8-7-13(18-14)9-11(2)15(16)17/h3-9H,1-2H3,(H2,16,17)/b11-9+.
What are the key properties of (E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide?
(E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 127034027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).