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

C13H15N3O3 — CID 3472571

IUPACN'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
SMILESCCN1C(=O)CC(NNC(=O)c2ccccc2)C1=O
InChIInChI=1S/C13H15N3O3/c1-2-16-11(17)8-10(13(16)19)14-15-12(18)9-6-4-3-5-7-9/h3-7,10,14H,2,8H2,1H3,(H,15,18)
InChIKeyMSZZSVXOFKBDAJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.07
Rot. Bonds4

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

N'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide (PubChem CID 3472571) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
PubChem CID3472571
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
SMILESCCN1C(=O)CC(NNC(=O)c2ccccc2)C1=O
InChIInChI=1S/C13H15N3O3/c1-2-16-11(17)8-10(13(16)19)14-15-12(18)9-6-4-3-5-7-9/h3-7,10,14H,2,8H2,1H3,(H,15,18)
InChIKeyMSZZSVXOFKBDAJ-UHFFFAOYSA-N
XLogP0.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.07
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-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide?
The IUPAC name of N'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide (CID 3472571) is N'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide.
What is the SMILES notation for N'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide?
The canonical SMILES for N'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide is CCN1C(=O)CC(NNC(=O)c2ccccc2)C1=O.
What is the InChIKey of N'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide?
The InChIKey is MSZZSVXOFKBDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-16-11(17)8-10(13(16)19)14-15-12(18)9-6-4-3-5-7-9/h3-7,10,14H,2,8H2,1H3,(H,15,18).
What are the key properties of N'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide?
N'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide has a molecular weight of 261.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide is sourced from PubChem (CID 3472571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).