N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide

C9H9N5O6 — CID 118715295

IUPACN-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide
SMILESNNC(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O6/c10-12-9(16)4-8(15)11-6-2-1-5(13(17)18)3-7(6)14(19)20/h1-3H,4,10H2,(H,11,15)(H,12,16)
InChIKeyMDDMSIGYAFCMTN-UHFFFAOYSA-N
MW283.20 g/mol
LogP-0.18
Rot. Bonds5

About N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide

N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide (PubChem CID 118715295) has the molecular formula C9H9N5O6 and a molecular weight of 283.20 g/mol. Its IUPAC name is N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide.

Molecular Properties

Compound NameN-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide
PubChem CID118715295
Molecular FormulaC9H9N5O6
Molecular Weight283.20 g/mol
Exact Mass283.06
IUPAC NameN-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide
SMILESNNC(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O6/c10-12-9(16)4-8(15)11-6-2-1-5(13(17)18)3-7(6)14(19)20/h1-3H,4,10H2,(H,11,15)(H,12,16)
InChIKeyMDDMSIGYAFCMTN-UHFFFAOYSA-N
XLogP-0.18
TPSA170.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide?
The IUPAC name of N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide (CID 118715295) is N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide.
What is the SMILES notation for N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide?
The canonical SMILES for N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide is NNC(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide?
The InChIKey is MDDMSIGYAFCMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O6/c10-12-9(16)4-8(15)11-6-2-1-5(13(17)18)3-7(6)14(19)20/h1-3H,4,10H2,(H,11,15)(H,12,16).
What are the key properties of N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide?
N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide has a molecular weight of 283.20 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dinitrophenyl)-3-hydrazinyl-3-oxopropanamide is sourced from PubChem (CID 118715295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).