4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide

C13H17N3O2 — CID 63581482

IUPAC4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide
SMILESCC1CC(=O)N(Cc2ccc(C(=O)NN)cc2)C1
InChIInChI=1S/C13H17N3O2/c1-9-6-12(17)16(7-9)8-10-2-4-11(5-3-10)13(18)15-14/h2-5,9H,6-8,14H2,1H3,(H,15,18)
InChIKeyLCXJZHQUWMWHOB-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.66
Rot. Bonds3

About 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide

4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide (PubChem CID 63581482) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide
PubChem CID63581482
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide
SMILESCC1CC(=O)N(Cc2ccc(C(=O)NN)cc2)C1
InChIInChI=1S/C13H17N3O2/c1-9-6-12(17)16(7-9)8-10-2-4-11(5-3-10)13(18)15-14/h2-5,9H,6-8,14H2,1H3,(H,15,18)
InChIKeyLCXJZHQUWMWHOB-UHFFFAOYSA-N
XLogP0.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95132360
1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 55177462
3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide
CID 63103190
ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate
CID 129097196
4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide
CID 66074446
3-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63581675
methyl 1-[(4-methoxycarbonylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 50873960
methyl 3-bromo-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzoate
CID 102766202
4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide
CID 64693334
(3S)-N'-(4-fluorobenzoyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbohydrazide
CID 2460845
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
4-[4-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]phenoxy]benzamide
CID 22292875

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The IUPAC name of 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide (CID 63581482) is 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide is CC1CC(=O)N(Cc2ccc(C(=O)NN)cc2)C1.
What is the InChIKey of 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The InChIKey is LCXJZHQUWMWHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-6-12(17)16(7-9)8-10-2-4-11(5-3-10)13(18)15-14/h2-5,9H,6-8,14H2,1H3,(H,15,18).
What are the key properties of 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide has a molecular weight of 247.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 63581482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).