2-hydroxy-1-N-phenylpropanedihydrazide

C9H12N4O3 — CID 54413641

IUPAC2-hydroxy-1-N-phenylpropanedihydrazide
SMILESNNC(=O)C(O)C(=O)N(N)c1ccccc1
InChIInChI=1S/C9H12N4O3/c10-12-8(15)7(14)9(16)13(11)6-4-2-1-3-5-6/h1-5,7,14H,10-11H2,(H,12,15)
InChIKeyVVWFZLOJAIGILA-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.76
Rot. Bonds3

About 2-hydroxy-1-N-phenylpropanedihydrazide

2-hydroxy-1-N-phenylpropanedihydrazide (PubChem CID 54413641) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-hydroxy-1-N-phenylpropanedihydrazide.

Molecular Properties

Compound Name2-hydroxy-1-N-phenylpropanedihydrazide
PubChem CID54413641
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-hydroxy-1-N-phenylpropanedihydrazide
SMILESNNC(=O)C(O)C(=O)N(N)c1ccccc1
InChIInChI=1S/C9H12N4O3/c10-12-8(15)7(14)9(16)13(11)6-4-2-1-3-5-6/h1-5,7,14H,10-11H2,(H,12,15)
InChIKeyVVWFZLOJAIGILA-UHFFFAOYSA-N
XLogP-1.76
TPSA121.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-amino-N-phenylacetohydrazide
CID 70067236
(2S)-2-amino-N-[2-(N-aminoanilino)-2-oxoethyl]propanamide
CID 70512604
N-phenylpropanehydrazide
CID 18522904
3-amino-1-N-phenylbenzene-1,2-dicarbohydrazide
CID 70419755
2-phenylpropanedihydrazide
CID 11424318
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
(E)-2-bromo-3-hydroxy-N-phenylbut-2-enehydrazide
CID 54705555
benzyl N-amino-N-phenylcarbamate
CID 54267520
1,1-diphenylurea
CID 174849888
3-[N-(2-cyanoethyl)anilino]-2-methylbutanehydrazide
CID 79409744
diethyl 2-[1-oxo-1-(N-phenylanilino)propan-2-yl]propanedioate
CID 135072806
2-(dipropylamino)-2-phenylacetohydrazide
CID 63569909

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-N-phenylpropanedihydrazide?
The IUPAC name of 2-hydroxy-1-N-phenylpropanedihydrazide (CID 54413641) is 2-hydroxy-1-N-phenylpropanedihydrazide.
What is the SMILES notation for 2-hydroxy-1-N-phenylpropanedihydrazide?
The canonical SMILES for 2-hydroxy-1-N-phenylpropanedihydrazide is NNC(=O)C(O)C(=O)N(N)c1ccccc1.
What is the InChIKey of 2-hydroxy-1-N-phenylpropanedihydrazide?
The InChIKey is VVWFZLOJAIGILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-12-8(15)7(14)9(16)13(11)6-4-2-1-3-5-6/h1-5,7,14H,10-11H2,(H,12,15).
What are the key properties of 2-hydroxy-1-N-phenylpropanedihydrazide?
2-hydroxy-1-N-phenylpropanedihydrazide has a molecular weight of 224.22 g/mol, XLogP of -1.76, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-N-phenylpropanedihydrazide is sourced from PubChem (CID 54413641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).