N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide

C11H10N2O4 — CID 22728939

IUPACN'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc2c(O)cccc2o1
InChIInChI=1S/C11H10N2O4/c1-6(14)12-13-11(16)10-5-7-8(15)3-2-4-9(7)17-10/h2-5,15H,1H3,(H,12,14)(H,13,16)
InChIKeyKULKLWWLUAIDHP-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.92
Rot. Bonds1

About N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide

N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide (PubChem CID 22728939) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide
PubChem CID22728939
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC NameN'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc2c(O)cccc2o1
InChIInChI=1S/C11H10N2O4/c1-6(14)12-13-11(16)10-5-7-8(15)3-2-4-9(7)17-10/h2-5,15H,1H3,(H,12,14)(H,13,16)
InChIKeyKULKLWWLUAIDHP-UHFFFAOYSA-N
XLogP0.92
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-acetyl-2,6-dihydroxybenzohydrazide
CID 139076787
2-N-ethyl-1-N',2-N'-bis(4-methoxy-1-benzofuran-2-carbonyl)ethanedihydrazide
CID 141034538
4-hydroxy-N-[2-[4-[hydroxy(phenyl)carbamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 87894461
methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
4-propan-2-yl-1-benzofuran-2-carboxamide
CID 155602033
N'-(furan-2-carbonyl)benzo[e][1]benzofuran-2-carbohydrazide
CID 3761855
N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
CID 47102362
5-hydroxychromen-2-one
CID 5318179
5-hydroxy-2-oxochromene-3-carboxylic acid
CID 91664855
N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
CID 2474419
2-(4-amino-1,2-oxazol-5-yl)-1-benzofuran-4-ol
CID 136986518

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide (CID 22728939) is N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide is CC(=O)NNC(=O)c1cc2c(O)cccc2o1.
What is the InChIKey of N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide?
The InChIKey is KULKLWWLUAIDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-6(14)12-13-11(16)10-5-7-8(15)3-2-4-9(7)17-10/h2-5,15H,1H3,(H,12,14)(H,13,16).
What are the key properties of N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide?
N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide has a molecular weight of 234.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-hydroxy-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 22728939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).