N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide

C14H20N2O — CID 116847331

IUPACN'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide
SMILESCNNC(=O)C1(c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C14H20N2O/c1-9-7-11(3)12(8-10(9)2)14(5-6-14)13(17)16-15-4/h7-8,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyXTMBEILDCGAAJB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.89
Rot. Bonds3

About N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide

N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide (PubChem CID 116847331) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide.

Molecular Properties

Compound NameN'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide
PubChem CID116847331
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide
SMILESCNNC(=O)C1(c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C14H20N2O/c1-9-7-11(3)12(8-10(9)2)14(5-6-14)13(17)16-15-4/h7-8,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyXTMBEILDCGAAJB-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxy-3-methylphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847330
1-(4-methoxy-2,3,6-trimethylphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847386
N'-methyl-1-naphthalen-1-ylcyclopropane-1-carbohydrazide
CID 116847393
N'-methyl-1-(6-methylnaphthalen-2-yl)cyclopropane-1-carbohydrazide
CID 116847390
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
1-(2-formyl-4,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117310769
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
1-(1,2-dimethylbenzimidazol-5-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847356
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341
methyl 2,2-dimethyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carboxylate
CID 116842847
3,3-dimethyl-1-(2,4,5-trimethylphenyl)cyclopentan-1-ol
CID 80699117
1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
CID 64985087

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide?
The IUPAC name of N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide (CID 116847331) is N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide.
What is the SMILES notation for N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide?
The canonical SMILES for N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide is CNNC(=O)C1(c2cc(C)c(C)cc2C)CC1.
What is the InChIKey of N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide?
The InChIKey is XTMBEILDCGAAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-7-11(3)12(8-10(9)2)14(5-6-14)13(17)16-15-4/h7-8,15H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide?
N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide has a molecular weight of 232.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carbohydrazide is sourced from PubChem (CID 116847331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).