N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C13H15N5O4 — CID 135400600

IUPACN-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)N/C=N/Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H15N5O4/c19-12(8-17-7-1-2-13(17)20)14-9-15-16-10-3-5-11(6-4-10)18(21)22/h3-6,9,16H,1-2,7-8H2,(H,14,15,19)
InChIKeyGJZLRKZFRSQVNY-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.69
Rot. Bonds6

About N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 135400600) has the molecular formula C13H15N5O4 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID135400600
Molecular FormulaC13H15N5O4
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC NameN-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)N/C=N/Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H15N5O4/c19-12(8-17-7-1-2-13(17)20)14-9-15-16-10-3-5-11(6-4-10)18(21)22/h3-6,9,16H,1-2,7-8H2,(H,14,15,19)
InChIKeyGJZLRKZFRSQVNY-UHFFFAOYSA-N
XLogP0.69
TPSA116.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

1-[2-(4-nitrophenyl)-2-oxoethyl]piperidin-2-one
CID 62024655
2-(4-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78802488
N-[2-(2-nitroanilino)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9278830
3-nitro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218965
N-(2-hydroxy-6-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 107681255
1-(4-nitroanilino)pyrrolidin-2-one
CID 3842405
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
1-[2-(4-nitrophenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 70071583
1-(4-nitrobenzoyl)pyrrolidin-2-one
CID 829246
N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9277149
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
CID 4082079

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 135400600) is N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)N/C=N/Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is GJZLRKZFRSQVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4/c19-12(8-17-7-1-2-13(17)20)14-9-15-16-10-3-5-11(6-4-10)18(21)22/h3-6,9,16H,1-2,7-8H2,(H,14,15,19).
What are the key properties of N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 305.29 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 135400600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).