N'-(3-methylphenyl)cyclobutanecarbohydrazide

C12H16N2O — CID 2812381

IUPACN'-(3-methylphenyl)cyclobutanecarbohydrazide
SMILESCc1cccc(NNC(=O)C2CCC2)c1
InChIInChI=1S/C12H16N2O/c1-9-4-2-7-11(8-9)13-14-12(15)10-5-3-6-10/h2,4,7-8,10,13H,3,5-6H2,1H3,(H,14,15)
InChIKeyACTRZKFUNCFTJE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.24
Rot. Bonds3

About N'-(3-methylphenyl)cyclobutanecarbohydrazide

N'-(3-methylphenyl)cyclobutanecarbohydrazide (PubChem CID 2812381) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N'-(3-methylphenyl)cyclobutanecarbohydrazide.

Molecular Properties

Compound NameN'-(3-methylphenyl)cyclobutanecarbohydrazide
PubChem CID2812381
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN'-(3-methylphenyl)cyclobutanecarbohydrazide
SMILESCc1cccc(NNC(=O)C2CCC2)c1
InChIInChI=1S/C12H16N2O/c1-9-4-2-7-11(8-9)13-14-12(15)10-5-3-6-10/h2,4,7-8,10,13H,3,5-6H2,1H3,(H,14,15)
InChIKeyACTRZKFUNCFTJE-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(3-methylphenyl)cyclobutanecarbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)cyclobutanecarbohydrazide?
The IUPAC name of N'-(3-methylphenyl)cyclobutanecarbohydrazide (CID 2812381) is N'-(3-methylphenyl)cyclobutanecarbohydrazide.
What is the SMILES notation for N'-(3-methylphenyl)cyclobutanecarbohydrazide?
The canonical SMILES for N'-(3-methylphenyl)cyclobutanecarbohydrazide is Cc1cccc(NNC(=O)C2CCC2)c1.
What is the InChIKey of N'-(3-methylphenyl)cyclobutanecarbohydrazide?
The InChIKey is ACTRZKFUNCFTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-4-2-7-11(8-9)13-14-12(15)10-5-3-6-10/h2,4,7-8,10,13H,3,5-6H2,1H3,(H,14,15).
What are the key properties of N'-(3-methylphenyl)cyclobutanecarbohydrazide?
N'-(3-methylphenyl)cyclobutanecarbohydrazide has a molecular weight of 204.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)cyclobutanecarbohydrazide is sourced from PubChem (CID 2812381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).