3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide

C13H14N4O5 — CID 39969414

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide
SMILESO=C(CCN1C(=O)CCC1=O)NNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O5/c18-11(7-8-16-12(19)5-6-13(16)20)15-14-9-3-1-2-4-10(9)17(21)22/h1-4,14H,5-8H2,(H,15,18)
InChIKeyCJYWADWDDLJFJC-UHFFFAOYSA-N
MW306.28 g/mol
LogP0.58
Rot. Bonds6

About 3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide

3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide (PubChem CID 39969414) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide
PubChem CID39969414
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide
SMILESO=C(CCN1C(=O)CCC1=O)NNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O5/c18-11(7-8-16-12(19)5-6-13(16)20)15-14-9-3-1-2-4-10(9)17(21)22/h1-4,14H,5-8H2,(H,15,18)
InChIKeyCJYWADWDDLJFJC-UHFFFAOYSA-N
XLogP0.58
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methyl-3-nitrophenyl)propanamide
CID 29354387
3-(1,3-dioxoisoindol-2-yl)-N-(2-nitrophenyl)propanamide
CID 2788208
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-3-nitrophenyl)propanamide
CID 29201494
N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 36662901
N'-(2-nitrophenyl)benzohydrazide
CID 3718054
3-(4-benzylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 14762588
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-nitrophenyl)benzamide
CID 2891364
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 46518147
3-(5-nitro-2-oxo-1-pyridinyl)-N-(2-nitrophenyl)propanamide
CID 52569963
N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 38282948

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide (CID 39969414) is 3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide is O=C(CCN1C(=O)CCC1=O)NNc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide?
The InChIKey is CJYWADWDDLJFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5/c18-11(7-8-16-12(19)5-6-13(16)20)15-14-9-3-1-2-4-10(9)17(21)22/h1-4,14H,5-8H2,(H,15,18).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide?
3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide has a molecular weight of 306.28 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N'-(2-nitrophenyl)propanehydrazide is sourced from PubChem (CID 39969414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).