2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide

C9H12N2O3 — CID 165452986

IUPAC2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide
SMILESCN(N)C(=O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C9H12N2O3/c1-11(10)9(14)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,10H2,1H3
InChIKeyDHTUSKHYYJACHW-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.03
Rot. Bonds2

About 2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide

2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide (PubChem CID 165452986) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide
PubChem CID165452986
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide
SMILESCN(N)C(=O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C9H12N2O3/c1-11(10)9(14)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,10H2,1H3
InChIKeyDHTUSKHYYJACHW-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
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-butyl-2-(3,4-dihydroxyphenyl)-N-methylacetamide
CID 113199070
2-(3,4-dihydroxyphenyl)acetic acid
CID 547
2-(3-chloro-4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844806
2-(4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844790
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-ethyl-N-methylpropanamide
CID 61154328
4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol
CID 62682581
4-[[3-aminopropyl(methyl)amino]methyl]benzene-1,2-diol
CID 115318850
N-(2-acetamidoethyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 144547616
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199133
benzyl 2-(3,4-dihydroxyphenyl)acetate
CID 155541666

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide (CID 165452986) is 2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide is CN(N)C(=O)Cc1ccc(O)c(O)c1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide?
The InChIKey is DHTUSKHYYJACHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11(10)9(14)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,10H2,1H3.
What are the key properties of 2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide?
2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide has a molecular weight of 196.21 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-N-methylacetohydrazide is sourced from PubChem (CID 165452986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).