N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide

C13H12N2O4 — CID 870343

IUPACN'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2ccco2)c1O
InChIInChI=1S/C13H12N2O4/c1-8-4-2-5-9(11(8)16)12(17)14-15-13(18)10-6-3-7-19-10/h2-7,16H,1H3,(H,14,17)(H,15,18)
InChIKeyGBRAAYIPWSKYJP-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.37
Rot. Bonds2

About N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide

N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide (PubChem CID 870343) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide
PubChem CID870343
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC NameN'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2ccco2)c1O
InChIInChI=1S/C13H12N2O4/c1-8-4-2-5-9(11(8)16)12(17)14-15-13(18)10-6-3-7-19-10/h2-7,16H,1H3,(H,14,17)(H,15,18)
InChIKeyGBRAAYIPWSKYJP-UHFFFAOYSA-N
XLogP1.37
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide (CID 870343) is N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide is Cc1cccc(C(=O)NNC(=O)c2ccco2)c1O.
What is the InChIKey of N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide?
The InChIKey is GBRAAYIPWSKYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-4-2-5-9(11(8)16)12(17)14-15-13(18)10-6-3-7-19-10/h2-7,16H,1H3,(H,14,17)(H,15,18).
What are the key properties of N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide?
N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide has a molecular weight of 260.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-3-methylbenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 870343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).