3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide

C10H11N3O5 — CID 57312617

IUPAC3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide
SMILESCOC(C(=O)C(=O)NN)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O5/c1-18-9(8(14)10(15)12-11)6-2-4-7(5-3-6)13(16)17/h2-5,9H,11H2,1H3,(H,12,15)
InChIKeyNWPGWCZRGMERRL-UHFFFAOYSA-N
MW253.21 g/mol
LogP-0.16
Rot. Bonds5

About 3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide

3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide (PubChem CID 57312617) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide.

Molecular Properties

Compound Name3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide
PubChem CID57312617
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide
SMILESCOC(C(=O)C(=O)NN)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O5/c1-18-9(8(14)10(15)12-11)6-2-4-7(5-3-6)13(16)17/h2-5,9H,11H2,1H3,(H,12,15)
InChIKeyNWPGWCZRGMERRL-UHFFFAOYSA-N
XLogP-0.16
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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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Related Compounds

dimethyl 2-(4-nitrophenyl)propanedioate
CID 2764303
2-methoxy-N-(4-nitrophenyl)-2-phenylacetamide
CID 2828422
dimethyl 2-[1-(4-nitrophenyl)ethyl]propanedioate
CID 19027104
methyl 2-(4-nitrophenyl)-3-oxobutanoate
CID 70847712
methyl (3S)-3-amino-3-(4-nitrophenyl)propanoate;hydrochloride
CID 170900233
tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate
CID 16744629
propan-2-yl 2-(1-aminoethoxy)-2-(4-nitrophenyl)acetate
CID 175074282
2,2-bis(4-nitrophenyl)acetic acid
CID 12768595
dimethyl 2-(4-nitroanilino)propanedioate
CID 71335725
(2S,3R)-2-amino-3-(4-nitrophenyl)butanoic acid
CID 14598190
methyl 2,4-bis(4-nitrophenyl)-4-oxobutanoate
CID 10133009
methane;methyl (2S)-2-methyl-3-(4-nitrophenyl)propanoate
CID 158629845

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide?
The IUPAC name of 3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide (CID 57312617) is 3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide.
What is the SMILES notation for 3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide?
The canonical SMILES for 3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide is COC(C(=O)C(=O)NN)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide?
The InChIKey is NWPGWCZRGMERRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c1-18-9(8(14)10(15)12-11)6-2-4-7(5-3-6)13(16)17/h2-5,9H,11H2,1H3,(H,12,15).
What are the key properties of 3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide?
3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide has a molecular weight of 253.21 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(4-nitrophenyl)-2-oxopropanehydrazide is sourced from PubChem (CID 57312617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).