N'-(3-cyanobenzoyl)furan-2-carbohydrazide

C13H9N3O3 — CID 9477248

IUPACN'-(3-cyanobenzoyl)furan-2-carbohydrazide
SMILESN#Cc1cccc(C(=O)NNC(=O)c2ccco2)c1
InChIInChI=1S/C13H9N3O3/c14-8-9-3-1-4-10(7-9)12(17)15-16-13(18)11-5-2-6-19-11/h1-7H,(H,15,17)(H,16,18)
InChIKeyOLFRMIDQOPOHFV-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.23
Rot. Bonds2

About N'-(3-cyanobenzoyl)furan-2-carbohydrazide

N'-(3-cyanobenzoyl)furan-2-carbohydrazide (PubChem CID 9477248) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is N'-(3-cyanobenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-cyanobenzoyl)furan-2-carbohydrazide
PubChem CID9477248
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC NameN'-(3-cyanobenzoyl)furan-2-carbohydrazide
SMILESN#Cc1cccc(C(=O)NNC(=O)c2ccco2)c1
InChIInChI=1S/C13H9N3O3/c14-8-9-3-1-4-10(7-9)12(17)15-16-13(18)11-5-2-6-19-11/h1-7H,(H,15,17)(H,16,18)
InChIKeyOLFRMIDQOPOHFV-UHFFFAOYSA-N
XLogP1.23
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-[(2R)-3-[2-(furan-2-carbonyl)hydrazinyl]-2-(4-nitrophenyl)-3-oxopropyl]benzamide
CID 70294083
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
N'-(3-cyanobenzoyl)thiophene-2-carbohydrazide
CID 7979408
N'-(3,5-difluorobenzoyl)furan-2-carbohydrazide
CID 6711004
2,5-dichloro-N'-(3-cyanobenzoyl)benzohydrazide
CID 7910683
N'-[1-(3-bromophenyl)ethenyl]furan-2-carbohydrazide
CID 4620798
1-tert-butyl-3-[(3-cyanobenzoyl)amino]thiourea
CID 9425663
1-[(3-cyanobenzoyl)amino]-3-ethylthiourea
CID 7977611
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide
CID 3347367
3-cyanobenzoic acid;silver
CID 88821173
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanobenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3-cyanobenzoyl)furan-2-carbohydrazide (CID 9477248) is N'-(3-cyanobenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-cyanobenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3-cyanobenzoyl)furan-2-carbohydrazide is N#Cc1cccc(C(=O)NNC(=O)c2ccco2)c1.
What is the InChIKey of N'-(3-cyanobenzoyl)furan-2-carbohydrazide?
The InChIKey is OLFRMIDQOPOHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c14-8-9-3-1-4-10(7-9)12(17)15-16-13(18)11-5-2-6-19-11/h1-7H,(H,15,17)(H,16,18).
What are the key properties of N'-(3-cyanobenzoyl)furan-2-carbohydrazide?
N'-(3-cyanobenzoyl)furan-2-carbohydrazide has a molecular weight of 255.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanobenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 9477248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).