(E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one

C15H15NO2 — CID 126185496

IUPAC(E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one
SMILESCc1cccc(N/C=C/C(=O)c2ccco2)c1C
InChIInChI=1S/C15H15NO2/c1-11-5-3-6-13(12(11)2)16-9-8-14(17)15-7-4-10-18-15/h3-10,16H,1-2H3/b9-8+
InChIKeyPZPRPFKSGIOIKT-CMDGGOBGSA-N
MW241.29 g/mol
LogP3.70
Rot. Bonds4

About (E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one

(E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one (PubChem CID 126185496) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one
PubChem CID126185496
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one
SMILESCc1cccc(N/C=C/C(=O)c2ccco2)c1C
InChIInChI=1S/C15H15NO2/c1-11-5-3-6-13(12(11)2)16-9-8-14(17)15-7-4-10-18-15/h3-10,16H,1-2H3/b9-8+
InChIKeyPZPRPFKSGIOIKT-CMDGGOBGSA-N
XLogP3.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,3-dimethylanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 19581250
(E)-1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one
CID 2197353
1-(furan-2-yl)-3-[2-(trifluoromethyl)anilino]prop-2-en-1-one
CID 975198
(E)-3-(2,3-dimethylanilino)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 46858478
(E)-3-(tert-butylamino)-1-(furan-2-yl)prop-2-en-1-one
CID 23591129
methyl 4-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]benzoate
CID 2247349
N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide
CID 110389902
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-ethenyl-2,3-dimethylaniline
CID 70358153
(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 92909359
(4S)-N-(2,3-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95316914
N-(3-hydroxy-2-methylphenyl)furan-2-carboxamide
CID 64792711

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one (CID 126185496) is (E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one is Cc1cccc(N/C=C/C(=O)c2ccco2)c1C.
What is the InChIKey of (E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one?
The InChIKey is PZPRPFKSGIOIKT-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-5-3-6-13(12(11)2)16-9-8-14(17)15-7-4-10-18-15/h3-10,16H,1-2H3/b9-8+.
What are the key properties of (E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one?
(E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one has a molecular weight of 241.29 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 126185496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).