2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide

C11H15N3O2 — CID 169464346

IUPAC2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide
SMILESNCC=Cc1ccccc1OCC(=O)NN
InChIInChI=1S/C11H15N3O2/c12-7-3-5-9-4-1-2-6-10(9)16-8-11(15)14-13/h1-6H,7-8,12-13H2,(H,14,15)
InChIKeyJJPFJZMTTGVYAD-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.03
Rot. Bonds5

About 2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide

2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide (PubChem CID 169464346) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide
PubChem CID169464346
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide
SMILESNCC=Cc1ccccc1OCC(=O)NN
InChIInChI=1S/C11H15N3O2/c12-7-3-5-9-4-1-2-6-10(9)16-8-11(15)14-13/h1-6H,7-8,12-13H2,(H,14,15)
InChIKeyJJPFJZMTTGVYAD-UHFFFAOYSA-N
XLogP0.03
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-hydroxybut-1-enyl)phenoxy]acetohydrazide
CID 170477419
N-[3-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]prop-2-enyl]acetamide
CID 169466327
N-[4-[2-(2-hydrazinyl-2-oxoethoxy)phenyl]but-3-enyl]acetamide
CID 170489550
2-[2-[(E)-but-1-enyl]phenoxy]acetic acid
CID 5354871
5-(2-prop-1-enylphenoxy)pentanehydrazide
CID 77002054
2,2-dimethyl-3-(2-prop-1-enylphenoxy)propanehydrazide
CID 79626134
2-[2-(4-chlorobut-1-enyl)phenoxy]acetic acid
CID 170499701
2-[2-(3-amino-1,2-dihydroxypropyl)phenoxy]acetohydrazide
CID 170828919
2-[2-[3-(methylamino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenoxy]acetohydrazide
CID 170815255
2-[2-(3-amino-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 169482271
(E)-3-(2-prop-2-enoxyphenyl)prop-2-enehydrazide
CID 6263279
2-[2-(4-chloro-1,2-dihydroxybutyl)phenoxy]acetohydrazide
CID 171894702

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide?
The IUPAC name of 2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide (CID 169464346) is 2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide.
What is the SMILES notation for 2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide?
The canonical SMILES for 2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide is NCC=Cc1ccccc1OCC(=O)NN.
What is the InChIKey of 2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide?
The InChIKey is JJPFJZMTTGVYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-7-3-5-9-4-1-2-6-10(9)16-8-11(15)14-13/h1-6H,7-8,12-13H2,(H,14,15).
What are the key properties of 2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide?
2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide has a molecular weight of 221.26 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminoprop-1-enyl)phenoxy]acetohydrazide is sourced from PubChem (CID 169464346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).