methyl N-(2-nitrophenyl)propanehydrazonate

C10H13N3O3 — CID 27210078

IUPACmethyl N-(2-nitrophenyl)propanehydrazonate
SMILESCCC(=NNc1ccccc1[N+](=O)[O-])OC
InChIInChI=1S/C10H13N3O3/c1-3-10(16-2)12-11-8-6-4-5-7-9(8)13(14)15/h4-7,11H,3H2,1-2H3
InChIKeyOHZZYWLNYBODED-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.38
Rot. Bonds4

About methyl N-(2-nitrophenyl)propanehydrazonate

methyl N-(2-nitrophenyl)propanehydrazonate (PubChem CID 27210078) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl N-(2-nitrophenyl)propanehydrazonate.

Molecular Properties

Compound Namemethyl N-(2-nitrophenyl)propanehydrazonate
PubChem CID27210078
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl N-(2-nitrophenyl)propanehydrazonate
SMILESCCC(=NNc1ccccc1[N+](=O)[O-])OC
InChIInChI=1S/C10H13N3O3/c1-3-10(16-2)12-11-8-6-4-5-7-9(8)13(14)15/h4-7,11H,3H2,1-2H3
InChIKeyOHZZYWLNYBODED-UHFFFAOYSA-N
XLogP2.38
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-nitro-N-[(E)-1-phenylpropylideneamino]aniline
CID 6132206
methyl 2-cyano-2-[(2-nitrophenyl)hydrazinylidene]acetate
CID 4737671
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-nitroaniline
CID 9059152
N-[(E)-1-cyclopropylethylideneamino]-2-nitroaniline
CID 6326525
N-[(E)-3-methylbutan-2-ylideneamino]-2-nitroaniline
CID 12591072
2-nitro-N-[(Z)-1-(2-nitrophenyl)ethylideneamino]aniline
CID 9059014
diethyl (2E)-2-[(2-nitrophenyl)hydrazinylidene]pentanedioate
CID 14964684
dimethyl (E,4Z)-4-[(2-nitrophenyl)hydrazinylidene]pent-2-enedioate
CID 27001647
2-[(Z)-C-methyl-N-(2-nitroanilino)carbonimidoyl]phenol
CID 135403129
ethyl (2R)-2-[C-methyl-N-(2-nitroanilino)carbonimidoyl]pentanoate
CID 129431843
N-[(4-dimethoxyphosphoryl-4-methylpentan-2-ylidene)amino]-2-nitroaniline
CID 91970172
ethyl (1Z)-3-[(4-chlorophenyl)methylamino]-N-(2-nitrophenyl)-3-oxopropanehydrazonate
CID 44614518

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-nitrophenyl)propanehydrazonate?
The IUPAC name of methyl N-(2-nitrophenyl)propanehydrazonate (CID 27210078) is methyl N-(2-nitrophenyl)propanehydrazonate.
What is the SMILES notation for methyl N-(2-nitrophenyl)propanehydrazonate?
The canonical SMILES for methyl N-(2-nitrophenyl)propanehydrazonate is CCC(=NNc1ccccc1[N+](=O)[O-])OC.
What is the InChIKey of methyl N-(2-nitrophenyl)propanehydrazonate?
The InChIKey is OHZZYWLNYBODED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-10(16-2)12-11-8-6-4-5-7-9(8)13(14)15/h4-7,11H,3H2,1-2H3.
What are the key properties of methyl N-(2-nitrophenyl)propanehydrazonate?
methyl N-(2-nitrophenyl)propanehydrazonate has a molecular weight of 223.23 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-nitrophenyl)propanehydrazonate is sourced from PubChem (CID 27210078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).