2-(1-cyano-2-methylpropyl)benzohydrazide

C12H15N3O — CID 121009174

IUPAC2-(1-cyano-2-methylpropyl)benzohydrazide
SMILESCC(C)C(C#N)c1ccccc1C(=O)NN
InChIInChI=1S/C12H15N3O/c1-8(2)11(7-13)9-5-3-4-6-10(9)12(16)15-14/h3-6,8,11H,14H2,1-2H3,(H,15,16)
InChIKeyYKJXPFMKXNOKFH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.55
Rot. Bonds3

About 2-(1-cyano-2-methylpropyl)benzohydrazide

2-(1-cyano-2-methylpropyl)benzohydrazide (PubChem CID 121009174) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(1-cyano-2-methylpropyl)benzohydrazide.

Molecular Properties

Compound Name2-(1-cyano-2-methylpropyl)benzohydrazide
PubChem CID121009174
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(1-cyano-2-methylpropyl)benzohydrazide
SMILESCC(C)C(C#N)c1ccccc1C(=O)NN
InChIInChI=1S/C12H15N3O/c1-8(2)11(7-13)9-5-3-4-6-10(9)12(16)15-14/h3-6,8,11H,14H2,1-2H3,(H,15,16)
InChIKeyYKJXPFMKXNOKFH-UHFFFAOYSA-N
XLogP1.55
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[hydroxy(phenyl)methyl]benzohydrazide
CID 54150972
methyl 2-[(1R)-1-cyanoethyl]benzoate
CID 146001416
2-(1-fluorobutyl)benzohydrazide
CID 146469661
(2S)-3-methyl-2-(2-methylphenyl)butanenitrile
CID 92978892
2-[[2-cyanopropyl(methyl)amino]methyl]benzohydrazide
CID 63583398
acetic acid;benzene-1,2-dicarbohydrazide
CID 174566374
N,2-di(propan-2-yl)benzamide
CID 14972595
2-[2-[2-cyanoethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63579637
2-methoxybenzohydrazide
CID 24051
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
CID 141301620
2-acetylbenzohydrazide;hydrochloride
CID 175815383
N-hydroxy-2-propan-2-ylbenzamide
CID 147875920

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyano-2-methylpropyl)benzohydrazide?
The IUPAC name of 2-(1-cyano-2-methylpropyl)benzohydrazide (CID 121009174) is 2-(1-cyano-2-methylpropyl)benzohydrazide.
What is the SMILES notation for 2-(1-cyano-2-methylpropyl)benzohydrazide?
The canonical SMILES for 2-(1-cyano-2-methylpropyl)benzohydrazide is CC(C)C(C#N)c1ccccc1C(=O)NN.
What is the InChIKey of 2-(1-cyano-2-methylpropyl)benzohydrazide?
The InChIKey is YKJXPFMKXNOKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)11(7-13)9-5-3-4-6-10(9)12(16)15-14/h3-6,8,11H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-cyano-2-methylpropyl)benzohydrazide?
2-(1-cyano-2-methylpropyl)benzohydrazide has a molecular weight of 217.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyano-2-methylpropyl)benzohydrazide is sourced from PubChem (CID 121009174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).