N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide

C15H14N2O3 — CID 4014

IUPACN-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide
SMILESCc1ccc(C(=O)c2c[nH]c(C=CC(=O)NO)c2)cc1
InChIInChI=1S/C15H14N2O3/c1-10-2-4-11(5-3-10)15(19)12-8-13(16-9-12)6-7-14(18)17-20/h2-9,16,20H,1H3,(H,17,18)
InChIKeyNKLOTTIXEXADEI-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.07
Rot. Bonds4

About N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide

N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide (PubChem CID 4014) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide
PubChem CID4014
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide
SMILESCc1ccc(C(=O)c2c[nH]c(C=CC(=O)NO)c2)cc1
InChIInChI=1S/C15H14N2O3/c1-10-2-4-11(5-3-10)15(19)12-8-13(16-9-12)6-7-14(18)17-20/h2-9,16,20H,1H3,(H,17,18)
InChIKeyNKLOTTIXEXADEI-UHFFFAOYSA-N
XLogP2.07
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

ethyl (2Z,5E)-6-[4-(4-fluorobenzoyl)-1H-pyrrol-2-yl]-2-hydroxy-4-oxohexa-2,5-dienoate
CID 73334702
(E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 87266341
4-(4-hydroxybenzoyl)-1H-pyrrole-2-carbaldehyde
CID 84723705
N-[(2S)-butan-2-yl]-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxamide
CID 1485174
(E)-3-(4-benzoyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide
CID 5278571
(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide
CID 143209580
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
CID 141299879
3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide
CID 6120980
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
(E)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 6121079

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide (CID 4014) is N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide is Cc1ccc(C(=O)c2c[nH]c(C=CC(=O)NO)c2)cc1.
What is the InChIKey of N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide?
The InChIKey is NKLOTTIXEXADEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-2-4-11(5-3-10)15(19)12-8-13(16-9-12)6-7-14(18)17-20/h2-9,16,20H,1H3,(H,17,18).
What are the key properties of N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide?
N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide has a molecular weight of 270.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 4014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).