4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide

C12H15N3O3S — CID 142448506

IUPAC4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide
SMILESCSc1ccccc1NNC(=O)C1C(=O)NCC1O
InChIInChI=1S/C12H15N3O3S/c1-19-9-5-3-2-4-7(9)14-15-12(18)10-8(16)6-13-11(10)17/h2-5,8,10,14,16H,6H2,1H3,(H,13,17)(H,15,18)
InChIKeyXAXXKPWTRMROTH-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.04
Rot. Bonds4

About 4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide

4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide (PubChem CID 142448506) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide
PubChem CID142448506
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide
SMILESCSc1ccccc1NNC(=O)C1C(=O)NCC1O
InChIInChI=1S/C12H15N3O3S/c1-19-9-5-3-2-4-7(9)14-15-12(18)10-8(16)6-13-11(10)17/h2-5,8,10,14,16H,6H2,1H3,(H,13,17)(H,15,18)
InChIKeyXAXXKPWTRMROTH-UHFFFAOYSA-N
XLogP-0.04
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448524
N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448508
N'-cyclopentyl-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448510
N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 137474003
4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide
CID 142448588
N-cycloheptyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438443
4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 63714277
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142439377
N-butyl-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438428
3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione
CID 107644178
ethane;4-hydroxy-N-(2-methoxyphenyl)sulfonyl-2-oxopyrrolidine-3-carboxamide
CID 142524494
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide (CID 142448506) is 4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide is CSc1ccccc1NNC(=O)C1C(=O)NCC1O.
What is the InChIKey of 4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide?
The InChIKey is XAXXKPWTRMROTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-19-9-5-3-2-4-7(9)14-15-12(18)10-8(16)6-13-11(10)17/h2-5,8,10,14,16H,6H2,1H3,(H,13,17)(H,15,18).
What are the key properties of 4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide?
4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide has a molecular weight of 281.34 g/mol, XLogP of -0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 142448506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).