2-(furan-3-carbonyl)benzohydrazide

C12H10N2O3 — CID 141007564

IUPAC2-(furan-3-carbonyl)benzohydrazide
SMILESNNC(=O)c1ccccc1C(=O)c1ccoc1
InChIInChI=1S/C12H10N2O3/c13-14-12(16)10-4-2-1-3-9(10)11(15)8-5-6-17-7-8/h1-7H,13H2,(H,14,16)
InChIKeyIXJJHFPUQPEBNQ-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.11
Rot. Bonds3

About 2-(furan-3-carbonyl)benzohydrazide

2-(furan-3-carbonyl)benzohydrazide (PubChem CID 141007564) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(furan-3-carbonyl)benzohydrazide.

Molecular Properties

Compound Name2-(furan-3-carbonyl)benzohydrazide
PubChem CID141007564
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-(furan-3-carbonyl)benzohydrazide
SMILESNNC(=O)c1ccccc1C(=O)c1ccoc1
InChIInChI=1S/C12H10N2O3/c13-14-12(16)10-4-2-1-3-9(10)11(15)8-5-6-17-7-8/h1-7H,13H2,(H,14,16)
InChIKeyIXJJHFPUQPEBNQ-UHFFFAOYSA-N
XLogP1.11
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-carbonyl)benzohydrazide?
The IUPAC name of 2-(furan-3-carbonyl)benzohydrazide (CID 141007564) is 2-(furan-3-carbonyl)benzohydrazide.
What is the SMILES notation for 2-(furan-3-carbonyl)benzohydrazide?
The canonical SMILES for 2-(furan-3-carbonyl)benzohydrazide is NNC(=O)c1ccccc1C(=O)c1ccoc1.
What is the InChIKey of 2-(furan-3-carbonyl)benzohydrazide?
The InChIKey is IXJJHFPUQPEBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c13-14-12(16)10-4-2-1-3-9(10)11(15)8-5-6-17-7-8/h1-7H,13H2,(H,14,16).
What are the key properties of 2-(furan-3-carbonyl)benzohydrazide?
2-(furan-3-carbonyl)benzohydrazide has a molecular weight of 230.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-carbonyl)benzohydrazide is sourced from PubChem (CID 141007564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).