(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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Related Compounds

(E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-methoxyprop-2-enamide
CID 11808211
(E)-N-hydroxy-3-[1-methyl-4-[(E)-2-methyl-3-oxo-3-phenylprop-1-enyl]pyrrol-2-yl]prop-2-enamide
CID 11232139
2-[(4-benzoyl-1-methylpyrrol-2-yl)methylidene]-N,N'-dihydroxypropanediamide
CID 11267472
(E)-3-(4-benzoyl-1-methylpyrrol-2-yl)prop-2-enimidamide
CID 11139651
(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)-3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide
CID 11393377
ethyl (E)-3-(4-benzoyl-1-phenylpyrrol-2-yl)prop-2-enoate
CID 10871677
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
methyl 2-amino-3-(4-benzoyl-1-methylpyrrol-2-yl)propanoate
CID 170883356
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
4-(2,6-difluorobenzoyl)-1-methylpyrrole-2-carbaldehyde
CID 3728632
diphenylmethanone;ethane
CID 158014879

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).