(E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide

C15H14N2O3S — CID 146347158

IUPAC(E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide
SMILESCn1c(/C=C/C(=O)NO)ccc1/C=C/C(=O)c1cccs1
InChIInChI=1S/C15H14N2O3S/c1-17-11(4-5-12(17)7-9-15(19)16-20)6-8-13(18)14-3-2-10-21-14/h2-10,20H,1H3,(H,16,19)/b8-6+,9-7+
InChIKeyVZFHEABIBYXVLE-CDJQDVQCSA-N
MW302.36 g/mol
LogP2.50
Rot. Bonds5

About (E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide (PubChem CID 146347158) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide
PubChem CID146347158
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name(E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide
SMILESCn1c(/C=C/C(=O)NO)ccc1/C=C/C(=O)c1cccs1
InChIInChI=1S/C15H14N2O3S/c1-17-11(4-5-12(17)7-9-15(19)16-20)6-8-13(18)14-3-2-10-21-14/h2-10,20H,1H3,(H,16,19)/b8-6+,9-7+
InChIKeyVZFHEABIBYXVLE-CDJQDVQCSA-N
XLogP2.50
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.50
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide (CID 146347158) is (E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide is Cn1c(/C=C/C(=O)NO)ccc1/C=C/C(=O)c1cccs1.
What is the InChIKey of (E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide?
The InChIKey is VZFHEABIBYXVLE-CDJQDVQCSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-17-11(4-5-12(17)7-9-15(19)16-20)6-8-13(18)14-3-2-10-21-14/h2-10,20H,1H3,(H,16,19)/b8-6+,9-7+.
What are the key properties of (E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide has a molecular weight of 302.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-methyl-5-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 146347158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).