2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide

C13H15N3O3 — CID 63569034

IUPAC2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
SMILESCN(Cc1occc1C(=O)NN)c1ccc(O)cc1
InChIInChI=1S/C13H15N3O3/c1-16(9-2-4-10(17)5-3-9)8-12-11(6-7-19-12)13(18)15-14/h2-7,17H,8,14H2,1H3,(H,15,18)
InChIKeyWWBZLMNWVBOCHZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.23
Rot. Bonds4

About 2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide

2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide (PubChem CID 63569034) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
PubChem CID63569034
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide
SMILESCN(Cc1occc1C(=O)NN)c1ccc(O)cc1
InChIInChI=1S/C13H15N3O3/c1-16(9-2-4-10(17)5-3-9)8-12-11(6-7-19-12)13(18)15-14/h2-7,17H,8,14H2,1H3,(H,15,18)
InChIKeyWWBZLMNWVBOCHZ-UHFFFAOYSA-N
XLogP1.23
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
2-[[methyl(pentan-3-yl)amino]methyl]furan-3-carbohydrazide
CID 63573677
2-[[benzyl(methyl)amino]methyl]furan-3-carbohydrazide
CID 63568687
2-[[methyl(pentyl)amino]methyl]furan-3-carbohydrazide
CID 63573089
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63579482
2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63577745
2-(4-hydroxy-N-methylanilino)acetohydrazide
CID 63568860
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569750
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63584190
3-[(4-hydroxy-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63640202
2-[2-(2-methoxyethoxy)ethoxymethyl]furan-3-carbohydrazide
CID 104567494
2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide
CID 63572172

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide (CID 63569034) is 2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide is CN(Cc1occc1C(=O)NN)c1ccc(O)cc1.
What is the InChIKey of 2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide?
The InChIKey is WWBZLMNWVBOCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16(9-2-4-10(17)5-3-9)8-12-11(6-7-19-12)13(18)15-14/h2-7,17H,8,14H2,1H3,(H,15,18).
What are the key properties of 2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide?
2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide has a molecular weight of 261.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-N-methylanilino)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63569034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).