3-(3,4-dihydroxyphenyl)propanehydrazide

C9H12N2O3 — CID 3746537

IUPAC3-(3,4-dihydroxyphenyl)propanehydrazide
SMILESNNC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C9H12N2O3/c10-11-9(14)4-2-6-1-3-7(12)8(13)5-6/h1,3,5,12-13H,2,4,10H2,(H,11,14)
InChIKeyMMNJHAKONQNNGA-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.02
Rot. Bonds3

About 3-(3,4-dihydroxyphenyl)propanehydrazide

3-(3,4-dihydroxyphenyl)propanehydrazide (PubChem CID 3746537) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)propanehydrazide.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)propanehydrazide
PubChem CID3746537
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(3,4-dihydroxyphenyl)propanehydrazide
SMILESNNC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C9H12N2O3/c10-11-9(14)4-2-6-1-3-7(12)8(13)5-6/h1,3,5,12-13H,2,4,10H2,(H,11,14)
InChIKeyMMNJHAKONQNNGA-UHFFFAOYSA-N
XLogP0.02
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.02
H-Bond Donors ≤ 54
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

3-(3,4-dihydroxyphenyl)-N-methylpropanamide
CID 15132211
3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide
CID 166059452
3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide
CID 175463692
3-(3,4-dihydroxyphenyl)propanethioic S-acid
CID 145421410
1-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)pentan-3-one
CID 56847287
1-(3,4-dihydroxyphenyl)pentan-3-one
CID 145234678
4-[7-(3,4-dihydroxyphenyl)-3,5-dimethylideneheptyl]benzene-1,2-diol
CID 89366813
4-(3,4-dihydroxyphenyl)-2-methylidenebutanoic acid
CID 68621917
2-[3-(3,4-dihydroxyphenyl)propanoylamino]ethyl 2-methylprop-2-enoate
CID 170552247
1-(4-bromophenyl)-3-[3-(3,4-dihydroxyphenyl)propanoylamino]urea
CID 17388380
10-[3-(3,4-dihydroxyphenyl)propanoylamino]decyl-triphenylphosphanium
CID 155518953
2-(3,4-dihydroxyphenyl)ethyl hydrogen carbonate
CID 163076711

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)propanehydrazide?
The IUPAC name of 3-(3,4-dihydroxyphenyl)propanehydrazide (CID 3746537) is 3-(3,4-dihydroxyphenyl)propanehydrazide.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)propanehydrazide?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)propanehydrazide is NNC(=O)CCc1ccc(O)c(O)c1.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)propanehydrazide?
The InChIKey is MMNJHAKONQNNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-11-9(14)4-2-6-1-3-7(12)8(13)5-6/h1,3,5,12-13H,2,4,10H2,(H,11,14).
What are the key properties of 3-(3,4-dihydroxyphenyl)propanehydrazide?
3-(3,4-dihydroxyphenyl)propanehydrazide has a molecular weight of 196.21 g/mol, XLogP of 0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)propanehydrazide is sourced from PubChem (CID 3746537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).