1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide

C13H17N3O2 — CID 54792505

IUPAC1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(C)c(N2CC(C(=O)NN)CC2=O)c1
InChIInChI=1S/C13H17N3O2/c1-8-3-4-9(2)11(5-8)16-7-10(6-12(16)17)13(18)15-14/h3-5,10H,6-7,14H2,1-2H3,(H,15,18)
InChIKeyWHEUIBHSNFTPCR-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.65
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide

1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 54792505) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID54792505
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(C)c(N2CC(C(=O)NN)CC2=O)c1
InChIInChI=1S/C13H17N3O2/c1-8-3-4-9(2)11(5-8)16-7-10(6-12(16)17)13(18)15-14/h3-5,10H,6-7,14H2,1-2H3,(H,15,18)
InChIKeyWHEUIBHSNFTPCR-UHFFFAOYSA-N
XLogP0.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.65
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

ethyl 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874023
methyl (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075686
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051576
1-(2,5-dimethylphenyl)-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
CID 17151724
(3S)-1-(2,5-dimethylphenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102102
1-(2,5-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17151831
1-(2,5-dimethylphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 17151802
1-(2,5-dimethylphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 17151811
1-(2,5-dimethylphenyl)-N-[4-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 10216260
N-(2-bromophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17151862
1-(2,5-dimethylphenyl)-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 10126481
(3S)-1-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7220375

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 54792505) is 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide is Cc1ccc(C)c(N2CC(C(=O)NN)CC2=O)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is WHEUIBHSNFTPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-3-4-9(2)11(5-8)16-7-10(6-12(16)17)13(18)15-14/h3-5,10H,6-7,14H2,1-2H3,(H,15,18).
What are the key properties of 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 247.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 54792505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).