5-(2-nitrophenoxy)pentanehydrazide

C11H15N3O4 — CID 63576866

IUPAC5-(2-nitrophenoxy)pentanehydrazide
SMILESNNC(=O)CCCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c12-13-11(15)7-3-4-8-18-10-6-2-1-5-9(10)14(16)17/h1-2,5-6H,3-4,7-8,12H2,(H,13,15)
InChIKeyJHMQBZWASHZJIK-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.13
Rot. Bonds7

About 5-(2-nitrophenoxy)pentanehydrazide

5-(2-nitrophenoxy)pentanehydrazide (PubChem CID 63576866) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-(2-nitrophenoxy)pentanehydrazide.

Molecular Properties

Compound Name5-(2-nitrophenoxy)pentanehydrazide
PubChem CID63576866
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-(2-nitrophenoxy)pentanehydrazide
SMILESNNC(=O)CCCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c12-13-11(15)7-3-4-8-18-10-6-2-1-5-9(10)14(16)17/h1-2,5-6H,3-4,7-8,12H2,(H,13,15)
InChIKeyJHMQBZWASHZJIK-UHFFFAOYSA-N
XLogP1.13
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

5-(4-fluoro-2-nitrophenoxy)pentanehydrazide
CID 63568590
5-(2-nitrophenoxy)pentanoic acid
CID 28971679
4-(5-fluoro-2-nitrophenoxy)butanehydrazide
CID 55212419
5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide
CID 107501706
4-(4-bromo-2-nitrophenoxy)butanehydrazide
CID 65430385
N-(2-acetamidoethyl)-4-(2-nitrophenoxy)butanamide
CID 84553535
methyl 4-(2-nitrophenoxy)butanoate
CID 43378076
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
N-(2-methylpropyl)-4-(2-nitrophenoxy)butanamide
CID 84552740
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908
N-[2-(5-hydrazinyl-5-oxopentoxy)phenyl]acetamide
CID 63576193
3-(2-nitrophenoxy)propan-1-ol
CID 18791292

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrophenoxy)pentanehydrazide?
The IUPAC name of 5-(2-nitrophenoxy)pentanehydrazide (CID 63576866) is 5-(2-nitrophenoxy)pentanehydrazide.
What is the SMILES notation for 5-(2-nitrophenoxy)pentanehydrazide?
The canonical SMILES for 5-(2-nitrophenoxy)pentanehydrazide is NNC(=O)CCCCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-(2-nitrophenoxy)pentanehydrazide?
The InChIKey is JHMQBZWASHZJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c12-13-11(15)7-3-4-8-18-10-6-2-1-5-9(10)14(16)17/h1-2,5-6H,3-4,7-8,12H2,(H,13,15).
What are the key properties of 5-(2-nitrophenoxy)pentanehydrazide?
5-(2-nitrophenoxy)pentanehydrazide has a molecular weight of 253.26 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenoxy)pentanehydrazide is sourced from PubChem (CID 63576866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).