N-(3,4-dihydroxyphenyl)propanehydrazide

C9H12N2O3 — CID 159411729

IUPACN-(3,4-dihydroxyphenyl)propanehydrazide
SMILESCCC(=O)N(N)c1ccc(O)c(O)c1
InChIInChI=1S/C9H12N2O3/c1-2-9(14)11(10)6-3-4-7(12)8(13)5-6/h3-5,12-13H,2,10H2,1H3
InChIKeyLOQUFEQYHLYMOV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.71
Rot. Bonds2

About N-(3,4-dihydroxyphenyl)propanehydrazide

N-(3,4-dihydroxyphenyl)propanehydrazide (PubChem CID 159411729) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(3,4-dihydroxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN-(3,4-dihydroxyphenyl)propanehydrazide
PubChem CID159411729
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-(3,4-dihydroxyphenyl)propanehydrazide
SMILESCCC(=O)N(N)c1ccc(O)c(O)c1
InChIInChI=1S/C9H12N2O3/c1-2-9(14)11(10)6-3-4-7(12)8(13)5-6/h3-5,12-13H,2,10H2,1H3
InChIKeyLOQUFEQYHLYMOV-UHFFFAOYSA-N
XLogP0.71
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylpropanehydrazide
CID 18522904
N-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
CID 23192818
N-(3,4-dihydroxyphenyl)-N-pentylpropanamide
CID 54195244
N-(3,4-dihydroxyphenyl)-N-octadecylpropanamide
CID 54000913
N-(3,4-dihydroxyphenyl)-N-hexylpropanamide
CID 54572400
N-benzyl-N-(3,4-dihydroxyphenyl)propanamide
CID 67853659
2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide
CID 165452986
ethyl (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
CID 162882690
ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
benzene-1,2,4-triol;diethyl 2-methylpropanedioate
CID 174557220

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxyphenyl)propanehydrazide?
The IUPAC name of N-(3,4-dihydroxyphenyl)propanehydrazide (CID 159411729) is N-(3,4-dihydroxyphenyl)propanehydrazide.
What is the SMILES notation for N-(3,4-dihydroxyphenyl)propanehydrazide?
The canonical SMILES for N-(3,4-dihydroxyphenyl)propanehydrazide is CCC(=O)N(N)c1ccc(O)c(O)c1.
What is the InChIKey of N-(3,4-dihydroxyphenyl)propanehydrazide?
The InChIKey is LOQUFEQYHLYMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-9(14)11(10)6-3-4-7(12)8(13)5-6/h3-5,12-13H,2,10H2,1H3.
What are the key properties of N-(3,4-dihydroxyphenyl)propanehydrazide?
N-(3,4-dihydroxyphenyl)propanehydrazide has a molecular weight of 196.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxyphenyl)propanehydrazide is sourced from PubChem (CID 159411729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).