[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine

C10H13N3O3 — CID 80930909

IUPAC[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine
SMILESC/C=C/COc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O3/c1-2-3-4-16-10-6-8(12-11)5-9(7-10)13(14)15/h2-3,5-7,12H,4,11H2,1H3/b3-2+
InChIKeyHCSWFRUBJSJXEZ-NSCUHMNNSA-N
MW223.23 g/mol
LogP1.84
Rot. Bonds5

About [3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine

[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine (PubChem CID 80930909) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is [3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine
PubChem CID80930909
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine
SMILESC/C=C/COc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O3/c1-2-3-4-16-10-6-8(12-11)5-9(7-10)13(14)15/h2-3,5-7,12H,4,11H2,1H3/b3-2+
InChIKeyHCSWFRUBJSJXEZ-NSCUHMNNSA-N
XLogP1.84
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(3-hydrazinyl-5-nitrophenoxy)ethanol
CID 80912775
(3-nitro-5-pent-4-enoxyphenyl)hydrazine
CID 80922666
(3-nitro-5-phenylmethoxyphenyl)hydrazine
CID 80910196
N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine
CID 115506037
[3-[(6-methylcyclohex-3-en-1-yl)methoxy]-5-nitrophenyl]hydrazine
CID 80914835
[3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine
CID 80906532
(3-nitro-5-pentan-2-yloxyphenyl)hydrazine
CID 102989748
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353
N-(3-ethoxy-5-nitrophenyl)hydroxylamine
CID 130500571
(E)-4-(3-bromo-5-nitrophenoxy)but-2-en-1-amine
CID 103588700
[4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol
CID 80920971
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine?
The IUPAC name of [3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine (CID 80930909) is [3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine.
What is the SMILES notation for [3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine?
The canonical SMILES for [3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine is C/C=C/COc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of [3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine?
The InChIKey is HCSWFRUBJSJXEZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-2-3-4-16-10-6-8(12-11)5-9(7-10)13(14)15/h2-3,5-7,12H,4,11H2,1H3/b3-2+.
What are the key properties of [3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine?
[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine has a molecular weight of 223.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine is sourced from PubChem (CID 80930909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).