4-(5-methoxy-2-nitrophenoxy)butanehydrazide

C11H15N3O5 — CID 102703730

IUPAC4-(5-methoxy-2-nitrophenoxy)butanehydrazide
SMILESCOc1ccc([N+](=O)[O-])c(OCCCC(=O)NN)c1
InChIInChI=1S/C11H15N3O5/c1-18-8-4-5-9(14(16)17)10(7-8)19-6-2-3-11(15)13-12/h4-5,7H,2-3,6,12H2,1H3,(H,13,15)
InChIKeyLEMWFFBLOQMVSI-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.75
Rot. Bonds7

About 4-(5-methoxy-2-nitrophenoxy)butanehydrazide

4-(5-methoxy-2-nitrophenoxy)butanehydrazide (PubChem CID 102703730) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(5-methoxy-2-nitrophenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(5-methoxy-2-nitrophenoxy)butanehydrazide
PubChem CID102703730
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-(5-methoxy-2-nitrophenoxy)butanehydrazide
SMILESCOc1ccc([N+](=O)[O-])c(OCCCC(=O)NN)c1
InChIInChI=1S/C11H15N3O5/c1-18-8-4-5-9(14(16)17)10(7-8)19-6-2-3-11(15)13-12/h4-5,7H,2-3,6,12H2,1H3,(H,13,15)
InChIKeyLEMWFFBLOQMVSI-UHFFFAOYSA-N
XLogP0.75
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-(5-methoxy-2-nitrophenoxy)butanoic acid
CID 102702553
4-(5-fluoro-2-nitrophenoxy)butanehydrazide
CID 55212419
3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102702530
N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549588
2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene
CID 102702616
3-(5-chloro-2-nitrophenoxy)propanehydrazide
CID 63568929
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
4-(4-bromo-2-nitrophenoxy)butanehydrazide
CID 65430385
2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide
CID 102703756
5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide
CID 107501706
4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 8537580

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-nitrophenoxy)butanehydrazide?
The IUPAC name of 4-(5-methoxy-2-nitrophenoxy)butanehydrazide (CID 102703730) is 4-(5-methoxy-2-nitrophenoxy)butanehydrazide.
What is the SMILES notation for 4-(5-methoxy-2-nitrophenoxy)butanehydrazide?
The canonical SMILES for 4-(5-methoxy-2-nitrophenoxy)butanehydrazide is COc1ccc([N+](=O)[O-])c(OCCCC(=O)NN)c1.
What is the InChIKey of 4-(5-methoxy-2-nitrophenoxy)butanehydrazide?
The InChIKey is LEMWFFBLOQMVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-18-8-4-5-9(14(16)17)10(7-8)19-6-2-3-11(15)13-12/h4-5,7H,2-3,6,12H2,1H3,(H,13,15).
What are the key properties of 4-(5-methoxy-2-nitrophenoxy)butanehydrazide?
4-(5-methoxy-2-nitrophenoxy)butanehydrazide has a molecular weight of 269.26 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-nitrophenoxy)butanehydrazide is sourced from PubChem (CID 102703730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).