2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide

C13H17N3O2 — CID 113314919

IUPAC2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1CN1CCCC1=O
InChIInChI=1S/C13H17N3O2/c14-15-12(17)8-10-4-1-2-5-11(10)9-16-7-3-6-13(16)18/h1-2,4-5H,3,6-9,14H2,(H,15,17)
InChIKeyZLVROXSVSNFHEW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.34
Rot. Bonds4

About 2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide

2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 113314919) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
PubChem CID113314919
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1CN1CCCC1=O
InChIInChI=1S/C13H17N3O2/c14-15-12(17)8-10-4-1-2-5-11(10)9-16-7-3-6-13(16)18/h1-2,4-5H,3,6-9,14H2,(H,15,17)
InChIKeyZLVROXSVSNFHEW-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.34
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

3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
CID 119716995
2-[2-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]phenyl]acetohydrazide
CID 115465647
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 95942009
2-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119285797
2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974895
1,2-dimethyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110914901
1-[(2-ethylphenyl)methyl]-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111635783
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95592054
1-[[2-[(benzylsulfamoylamino)methyl]phenyl]methyl]pyrrolidin-2-one
CID 56903516
1-[[2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 86979298
1-tert-butyl-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052596
3-(2-methoxyphenoxy)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86924907

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide (CID 113314919) is 2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccccc1CN1CCCC1=O.
What is the InChIKey of 2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is ZLVROXSVSNFHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-15-12(17)8-10-4-1-2-5-11(10)9-16-7-3-6-13(16)18/h1-2,4-5H,3,6-9,14H2,(H,15,17).
What are the key properties of 2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide?
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 247.30 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 113314919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).