N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide

C12H13N3O3 — CID 948119

IUPACN'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCN1C(=O)C[C@H](NNC(=O)c2ccccc2)C1=O
InChIInChI=1S/C12H13N3O3/c1-15-10(16)7-9(12(15)18)13-14-11(17)8-5-3-2-4-6-8/h2-6,9,13H,7H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeyQRDGOQOISAEZJF-VIFPVBQESA-N
MW247.25 g/mol
LogP-0.32
Rot. Bonds3

About N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide

N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide (PubChem CID 948119) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
PubChem CID948119
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCN1C(=O)C[C@H](NNC(=O)c2ccccc2)C1=O
InChIInChI=1S/C12H13N3O3/c1-15-10(16)7-9(12(15)18)13-14-11(17)8-5-3-2-4-6-8/h2-6,9,13H,7H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeyQRDGOQOISAEZJF-VIFPVBQESA-N
XLogP-0.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide
CID 3766254
N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
CID 4101151
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
N-(1-methyl-2,6-dioxopiperidin-4-yl)benzamide
CID 523504
N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide
CID 2492890
4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzoic acid
CID 23009320
N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 929792
4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2492862
1-methyl-3-phenacylpyrrolidine-2,5-dione
CID 71420234
(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
CID 7377821
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzohydrazide
CID 4972953

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The IUPAC name of N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide (CID 948119) is N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide.
What is the SMILES notation for N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The canonical SMILES for N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide is CN1C(=O)C[C@H](NNC(=O)c2ccccc2)C1=O.
What is the InChIKey of N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The InChIKey is QRDGOQOISAEZJF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3O3/c1-15-10(16)7-9(12(15)18)13-14-11(17)8-5-3-2-4-6-8/h2-6,9,13H,7H2,1H3,(H,14,17)/t9-/m0/s1.
What are the key properties of N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide has a molecular weight of 247.25 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide is sourced from PubChem (CID 948119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).