(E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide

C19H18N2O4 — CID 24851072

IUPAC(E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide
SMILESCn1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1/C=C/C(=O)NO
InChIInChI=1S/C19H18N2O4/c1-21-12-13(10-16(21)4-7-19(23)20-24)2-5-17(22)14-3-6-18-15(11-14)8-9-25-18/h2-7,10-12,24H,8-9H2,1H3,(H,20,23)/b5-2+,7-4+
InChIKeyLPVOYQFZOICNIL-XIIDOLPRSA-N
MW338.36 g/mol
LogP2.37
Rot. Bonds5

About (E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide

(E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide (PubChem CID 24851072) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide
PubChem CID24851072
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide
SMILESCn1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1/C=C/C(=O)NO
InChIInChI=1S/C19H18N2O4/c1-21-12-13(10-16(21)4-7-19(23)20-24)2-5-17(22)14-3-6-18-15(11-14)8-9-25-18/h2-7,10-12,24H,8-9H2,1H3,(H,20,23)/b5-2+,7-4+
InChIKeyLPVOYQFZOICNIL-XIIDOLPRSA-N
XLogP2.37
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide
CID 11393377
(E)-N-hydroxy-3-[1-methyl-4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]pyrrol-2-yl]prop-2-enamide
CID 11337741
(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 170838343
tert-butyl N-[3-[(E)-3-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]prop-2-enoyl]phenyl]carbamate
CID 71614282
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 156783239
(E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide
CID 171527682
(E)-3-(2-bromo-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one
CID 170838357
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 4775934
(E)-1-(4-acetylpiperazin-1-yl)-4-(2,3-dihydro-1-benzofuran-5-yl)but-2-ene-1,4-dione
CID 171527617
3-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(4-hydroxypiperidin-1-yl)phenyl]prop-2-en-1-one
CID 111337709
(E)-3-[1-methyl-4-[(E)-3-(3-methylphenyl)-3-oxoprop-1-enyl]pyrrol-2-yl]prop-2-enoic acid
CID 11220150
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115870213

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide (CID 24851072) is (E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide is Cn1cc(/C=C/C(=O)c2ccc3c(c2)CCO3)cc1/C=C/C(=O)NO.
What is the InChIKey of (E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide?
The InChIKey is LPVOYQFZOICNIL-XIIDOLPRSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-21-12-13(10-16(21)4-7-19(23)20-24)2-5-17(22)14-3-6-18-15(11-14)8-9-25-18/h2-7,10-12,24H,8-9H2,1H3,(H,20,23)/b5-2+,7-4+.
What are the key properties of (E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide has a molecular weight of 338.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24851072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).