N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide

C17H18N4O3 — CID 78812975

IUPACN'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
SMILESCc1ccc(N2CC(C(=O)NNC(=O)c3ccc[nH]3)CC2=O)cc1
InChIInChI=1S/C17H18N4O3/c1-11-4-6-13(7-5-11)21-10-12(9-15(21)22)16(23)19-20-17(24)14-3-2-8-18-14/h2-8,12,18H,9-10H2,1H3,(H,19,23)(H,20,24)
InChIKeyVCJRNLWENMKWSJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.14
Rot. Bonds3

About N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide

N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78812975) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78812975
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
SMILESCc1ccc(N2CC(C(=O)NNC(=O)c3ccc[nH]3)CC2=O)cc1
InChIInChI=1S/C17H18N4O3/c1-11-4-6-13(7-5-11)21-10-12(9-15(21)22)16(23)19-20-17(24)14-3-2-8-18-14/h2-8,12,18H,9-10H2,1H3,(H,19,23)(H,20,24)
InChIKeyVCJRNLWENMKWSJ-UHFFFAOYSA-N
XLogP1.14
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78814266
N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51145340
N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24686411
N'-[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78814263
N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 55346229
(3R)-N'-[4-(diethylamino)benzoyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9155875
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822792
(3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822791
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(4-fluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiourea
CID 9469288
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417
(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9471840

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide (CID 78812975) is N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide is Cc1ccc(N2CC(C(=O)NNC(=O)c3ccc[nH]3)CC2=O)cc1.
What is the InChIKey of N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is VCJRNLWENMKWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-4-6-13(7-5-11)21-10-12(9-15(21)22)16(23)19-20-17(24)14-3-2-8-18-14/h2-8,12,18H,9-10H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide?
N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 326.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78812975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).