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

C12H13N3O3 — CID 3829966

IUPACN'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
SMILESCN1C(=O)CC(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)
InChIKeyQRDGOQOISAEZJF-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.32
Rot. Bonds3

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

N'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide (PubChem CID 3829966) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
PubChem CID3829966
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
SMILESCN1C(=O)CC(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)
InChIKeyQRDGOQOISAEZJF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide?
The IUPAC name of N'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide (CID 3829966) is N'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide.
What is the SMILES notation for N'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide?
The canonical SMILES for N'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide is CN1C(=O)CC(NNC(=O)c2ccccc2)C1=O.
What is the InChIKey of N'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide?
The InChIKey is QRDGOQOISAEZJF-UHFFFAOYSA-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).
What are the key properties of N'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide?
N'-(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'-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide is sourced from PubChem (CID 3829966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).