[3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine

C15H15N3O3 — CID 80906532

IUPAC[3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine
SMILESC/C=C/c1ccccc1Oc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O3/c1-2-5-11-6-3-4-7-15(11)21-14-9-12(17-16)8-13(10-14)18(19)20/h2-10,17H,16H2,1H3/b5-2+
InChIKeyAPXDUBXQABJFIZ-GORDUTHDSA-N
MW285.30 g/mol
LogP3.71
Rot. Bonds5

About [3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine

[3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine (PubChem CID 80906532) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine.

Molecular Properties

Compound Name[3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine
PubChem CID80906532
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine
SMILESC/C=C/c1ccccc1Oc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O3/c1-2-5-11-6-3-4-7-15(11)21-14-9-12(17-16)8-13(10-14)18(19)20/h2-10,17H,16H2,1H3/b5-2+
InChIKeyAPXDUBXQABJFIZ-GORDUTHDSA-N
XLogP3.71
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353
[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine
CID 80930909
N-[3-(2-methylphenoxy)-5-nitrophenyl]formamide
CID 168652947
(3-nitro-5-phenylmethoxyphenyl)hydrazine
CID 80910196
[4-(3-hydrazinyl-5-nitrophenoxy)phenyl]methanol
CID 80920971
[3-(3-chloro-4-fluorophenoxy)-5-nitrophenyl]hydrazine
CID 80921755
N-methyl-3-nitro-5-(2-propan-2-ylphenoxy)aniline
CID 80874041
3-(2-chlorophenoxy)-5-nitro-N-propylaniline
CID 80867354
2-(3-hydrazinyl-5-nitrophenoxy)ethanol
CID 80912775
3-(2-ethylphenoxy)-5-nitroaniline
CID 80875741
1-[4-[2-[(Z)-prop-1-enyl]phenoxy]phenyl]ethanone
CID 126685866
2-chloro-4-(2-prop-1-enylphenoxy)pyridine
CID 77005915

Frequently Asked Questions

What is the IUPAC name of [3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine?
The IUPAC name of [3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine (CID 80906532) is [3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine.
What is the SMILES notation for [3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine?
The canonical SMILES for [3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine is C/C=C/c1ccccc1Oc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of [3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine?
The InChIKey is APXDUBXQABJFIZ-GORDUTHDSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-5-11-6-3-4-7-15(11)21-14-9-12(17-16)8-13(10-14)18(19)20/h2-10,17H,16H2,1H3/b5-2+.
What are the key properties of [3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine?
[3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine has a molecular weight of 285.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-nitro-5-[2-[(E)-prop-1-enyl]phenoxy]phenyl]hydrazine is sourced from PubChem (CID 80906532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).