4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide

C13H14N4O5 — CID 17386597

IUPAC4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H14N4O5/c18-11(9-3-5-10(6-4-9)17(21)22)14-15-12(19)13(20)16-7-1-2-8-16/h3-6H,1-2,7-8H2,(H,14,18)(H,15,19)
InChIKeyHHNZCSKSWRHZAH-UHFFFAOYSA-N
MW306.28 g/mol
LogP-0.02
Rot. Bonds2

About 4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide

4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide (PubChem CID 17386597) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is 4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide
PubChem CID17386597
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC Name4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H14N4O5/c18-11(9-3-5-10(6-4-9)17(21)22)14-15-12(19)13(20)16-7-1-2-8-16/h3-6H,1-2,7-8H2,(H,14,18)(H,15,19)
InChIKeyHHNZCSKSWRHZAH-UHFFFAOYSA-N
XLogP-0.02
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
CID 2213249
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 32627467
4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 7964038
N-[(E)-1-bromo-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
CID 3002807
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
N-[(Z)-1-(2-chlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
CID 5440631
1-[4-(azepane-1-carbonyl)phenyl]-3-(4-nitrophenyl)urea
CID 166354714
N-[3-(azepane-1-carbonyl)phenyl]-4-nitrobenzamide
CID 26159233
N-[1-(4-chlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
CID 3104315
N-[(E)-1-(4-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide
CID 1100517
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide?
The IUPAC name of 4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide (CID 17386597) is 4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide.
What is the SMILES notation for 4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide?
The canonical SMILES for 4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide is O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1.
What is the InChIKey of 4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide?
The InChIKey is HHNZCSKSWRHZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5/c18-11(9-3-5-10(6-4-9)17(21)22)14-15-12(19)13(20)16-7-1-2-8-16/h3-6H,1-2,7-8H2,(H,14,18)(H,15,19).
What are the key properties of 4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide?
4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide has a molecular weight of 306.28 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-(2-oxo-2-pyrrolidin-1-ylacetyl)benzohydrazide is sourced from PubChem (CID 17386597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).