5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid

C12H13N3O6 — CID 4949721

IUPAC5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H13N3O6/c16-10(6-3-7-11(17)18)13-14-12(19)8-4-1-2-5-9(8)15(20)21/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,19)(H,17,18)
InChIKeyGDMNHIIAASCOID-UHFFFAOYSA-N
MW295.25 g/mol
LogP0.61
Rot. Bonds6

About 5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid

5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid (PubChem CID 4949721) has the molecular formula C12H13N3O6 and a molecular weight of 295.25 g/mol. Its IUPAC name is 5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid
PubChem CID4949721
Molecular FormulaC12H13N3O6
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Name5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H13N3O6/c16-10(6-3-7-11(17)18)13-14-12(19)8-4-1-2-5-9(8)15(20)21/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,19)(H,17,18)
InChIKeyGDMNHIIAASCOID-UHFFFAOYSA-N
XLogP0.61
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
CID 3284801
3-phenylpropyl 4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanoate
CID 4934433
[(2-nitrobenzoyl)amino]urea
CID 61061190
N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide
CID 26786259
2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4512739
2-nitro-N'-[4-[5-[3-[4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]benzohydrazide
CID 11980350
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
CID 4213770
N'-tert-butyl-2-nitrobenzohydrazide
CID 15617770
N'-(2-bromopropanoyl)-2-nitrobenzohydrazide
CID 3809128
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599
N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925375

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid (CID 4949721) is 5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid is O=C(O)CCCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid?
The InChIKey is GDMNHIIAASCOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O6/c16-10(6-3-7-11(17)18)13-14-12(19)8-4-1-2-5-9(8)15(20)21/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid?
5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid has a molecular weight of 295.25 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 4949721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).