N'-(2-cyanoacetyl)-3-methoxybenzohydrazide

C11H11N3O3 — CID 3117668

IUPACN'-(2-cyanoacetyl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)CC#N)c1
InChIInChI=1S/C11H11N3O3/c1-17-9-4-2-3-8(7-9)11(16)14-13-10(15)5-6-12/h2-4,7H,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyKNSKXZFZQUXIKD-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.37
Rot. Bonds3

About N'-(2-cyanoacetyl)-3-methoxybenzohydrazide

N'-(2-cyanoacetyl)-3-methoxybenzohydrazide (PubChem CID 3117668) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is N'-(2-cyanoacetyl)-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-cyanoacetyl)-3-methoxybenzohydrazide
PubChem CID3117668
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC NameN'-(2-cyanoacetyl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)CC#N)c1
InChIInChI=1S/C11H11N3O3/c1-17-9-4-2-3-8(7-9)11(16)14-13-10(15)5-6-12/h2-4,7H,5H2,1H3,(H,13,15)(H,14,16)
InChIKeyKNSKXZFZQUXIKD-UHFFFAOYSA-N
XLogP0.37
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.37
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-methoxy-N'-pentanoylbenzohydrazide
CID 3117671
3-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 7720061
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
N'-(4-aminobenzoyl)-3-methoxybenzohydrazide
CID 684303
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 3117674
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate
CID 7702979
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
CID 46471065
N-[3-[(2-cyanoacetyl)amino]phenyl]-3,5-dimethoxybenzamide
CID 108922675
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanoacetyl)-3-methoxybenzohydrazide?
The IUPAC name of N'-(2-cyanoacetyl)-3-methoxybenzohydrazide (CID 3117668) is N'-(2-cyanoacetyl)-3-methoxybenzohydrazide.
What is the SMILES notation for N'-(2-cyanoacetyl)-3-methoxybenzohydrazide?
The canonical SMILES for N'-(2-cyanoacetyl)-3-methoxybenzohydrazide is COc1cccc(C(=O)NNC(=O)CC#N)c1.
What is the InChIKey of N'-(2-cyanoacetyl)-3-methoxybenzohydrazide?
The InChIKey is KNSKXZFZQUXIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-9-4-2-3-8(7-9)11(16)14-13-10(15)5-6-12/h2-4,7H,5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-(2-cyanoacetyl)-3-methoxybenzohydrazide?
N'-(2-cyanoacetyl)-3-methoxybenzohydrazide has a molecular weight of 233.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanoacetyl)-3-methoxybenzohydrazide is sourced from PubChem (CID 3117668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).