2-(2-nitrophenoxy)butanehydrazide

C10H13N3O4 — CID 54792980

IUPAC2-(2-nitrophenoxy)butanehydrazide
SMILESCCC(Oc1ccccc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C10H13N3O4/c1-2-8(10(14)12-11)17-9-6-4-3-5-7(9)13(15)16/h3-6,8H,2,11H2,1H3,(H,12,14)
InChIKeyIQTDFNRZJJEQHM-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.74
Rot. Bonds5

About 2-(2-nitrophenoxy)butanehydrazide

2-(2-nitrophenoxy)butanehydrazide (PubChem CID 54792980) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)butanehydrazide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)butanehydrazide
PubChem CID54792980
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-(2-nitrophenoxy)butanehydrazide
SMILESCCC(Oc1ccccc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C10H13N3O4/c1-2-8(10(14)12-11)17-9-6-4-3-5-7(9)13(15)16/h3-6,8H,2,11H2,1H3,(H,12,14)
InChIKeyIQTDFNRZJJEQHM-UHFFFAOYSA-N
XLogP0.74
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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

3-methoxy-2-(2-nitrophenoxy)propanehydrazide
CID 103229219
2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide
CID 55213215
2-(4,5-dichloro-2-nitrophenoxy)butanehydrazide
CID 107501714
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]butanehydrazide
CID 55214576
2-(2-methyl-6-nitrophenoxy)pentanehydrazide
CID 83048033
2-(4-cyano-2-nitrophenoxy)pentanehydrazide
CID 83047253
2-(2-fluoro-6-nitrophenoxy)pentanehydrazide
CID 104832467
2-(2-nitrophenoxy)-N-[8-[2-(2-nitrophenoxy)propanoylamino]octyl]propanamide
CID 17233381
2-(4-chloro-2-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229241
2-[2-(2-nitrophenoxy)propanoylamino]ethyl nitrate
CID 15839962
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
2-quinolin-8-yloxybutanehydrazide
CID 63575214

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)butanehydrazide?
The IUPAC name of 2-(2-nitrophenoxy)butanehydrazide (CID 54792980) is 2-(2-nitrophenoxy)butanehydrazide.
What is the SMILES notation for 2-(2-nitrophenoxy)butanehydrazide?
The canonical SMILES for 2-(2-nitrophenoxy)butanehydrazide is CCC(Oc1ccccc1[N+](=O)[O-])C(=O)NN.
What is the InChIKey of 2-(2-nitrophenoxy)butanehydrazide?
The InChIKey is IQTDFNRZJJEQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-2-8(10(14)12-11)17-9-6-4-3-5-7(9)13(15)16/h3-6,8H,2,11H2,1H3,(H,12,14).
What are the key properties of 2-(2-nitrophenoxy)butanehydrazide?
2-(2-nitrophenoxy)butanehydrazide has a molecular weight of 239.23 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)butanehydrazide is sourced from PubChem (CID 54792980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).