1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide

C13H22N2O2 — CID 123381303

IUPAC1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide
SMILESCC1CC1C(=O)NNC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H22N2O2/c1-9-8-10(9)11(16)14-15-12(17)13(2)6-4-3-5-7-13/h9-10H,3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMWJXVCXFWKGDHI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.76
Rot. Bonds2

About 1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide

1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide (PubChem CID 123381303) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide
PubChem CID123381303
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide
SMILESCC1CC1C(=O)NNC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H22N2O2/c1-9-8-10(9)11(16)14-15-12(17)13(2)6-4-3-5-7-13/h9-10H,3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyMWJXVCXFWKGDHI-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide?
The IUPAC name of 1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide (CID 123381303) is 1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide is CC1CC1C(=O)NNC(=O)C1(C)CCCCC1.
What is the InChIKey of 1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide?
The InChIKey is MWJXVCXFWKGDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-8-10(9)11(16)14-15-12(17)13(2)6-4-3-5-7-13/h9-10H,3-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide?
1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide has a molecular weight of 238.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 123381303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).