(E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide

C16H18N2O2 — CID 6439321

IUPAC(E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide
SMILESCc1ccc(C)n1-c1ccc(/C=C/C(=O)N(C)O)cc1
InChIInChI=1S/C16H18N2O2/c1-12-4-5-13(2)18(12)15-9-6-14(7-10-15)8-11-16(19)17(3)20/h4-11,20H,1-3H3/b11-8+
InChIKeyZPBFSCZQRXZGLG-DHZHZOJOSA-N
MW270.33 g/mol
LogP2.95
Rot. Bonds3

About (E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide

(E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide (PubChem CID 6439321) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide
PubChem CID6439321
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide
SMILESCc1ccc(C)n1-c1ccc(/C=C/C(=O)N(C)O)cc1
InChIInChI=1S/C16H18N2O2/c1-12-4-5-13(2)18(12)15-9-6-14(7-10-15)8-11-16(19)17(3)20/h4-11,20H,1-3H3/b11-8+
InChIKeyZPBFSCZQRXZGLG-DHZHZOJOSA-N
XLogP2.95
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'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)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide (CID 6439321) is (E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide is Cc1ccc(C)n1-c1ccc(/C=C/C(=O)N(C)O)cc1.
What is the InChIKey of (E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide?
The InChIKey is ZPBFSCZQRXZGLG-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-4-5-13(2)18(12)15-9-6-14(7-10-15)8-11-16(19)17(3)20/h4-11,20H,1-3H3/b11-8+.
What are the key properties of (E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide?
(E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N-hydroxy-N-methylprop-2-enamide is sourced from PubChem (CID 6439321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).