(E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide

C15H14N2O3 — CID 5278571

IUPAC(E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide
SMILESCn1cc(C(=O)c2ccccc2)cc1/C=C/C(=O)NO
InChIInChI=1S/C15H14N2O3/c1-17-10-12(9-13(17)7-8-14(18)16-20)15(19)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,16,18)/b8-7+
InChIKeyBUPFBXCQRDPWSF-BQYQJAHWSA-N
MW270.29 g/mol
LogP1.77
Rot. Bonds4

About (E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide

(E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide (PubChem CID 5278571) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide
PubChem CID5278571
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide
SMILESCn1cc(C(=O)c2ccccc2)cc1/C=C/C(=O)NO
InChIInChI=1S/C15H14N2O3/c1-17-10-12(9-13(17)7-8-14(18)16-20)15(19)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,16,18)/b8-7+
InChIKeyBUPFBXCQRDPWSF-BQYQJAHWSA-N
XLogP1.77
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide (CID 5278571) is (E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide is Cn1cc(C(=O)c2ccccc2)cc1/C=C/C(=O)NO.
What is the InChIKey of (E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide?
The InChIKey is BUPFBXCQRDPWSF-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17-10-12(9-13(17)7-8-14(18)16-20)15(19)11-5-3-2-4-6-11/h2-10,20H,1H3,(H,16,18)/b8-7+.
What are the key properties of (E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide?
(E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide has a molecular weight of 270.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 5278571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).