N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide

C15H24N2O2 — CID 828224

IUPACN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide
SMILESCC1(C)CC(=O)C=C(NNC(=O)C2CCCCC2)C1
InChIInChI=1S/C15H24N2O2/c1-15(2)9-12(8-13(18)10-15)16-17-14(19)11-6-4-3-5-7-11/h8,11,16H,3-7,9-10H2,1-2H3,(H,17,19)
InChIKeySXPGCTDIZMJINT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.46
Rot. Bonds3

About N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide

N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide (PubChem CID 828224) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide
PubChem CID828224
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide
SMILESCC1(C)CC(=O)C=C(NNC(=O)C2CCCCC2)C1
InChIInChI=1S/C15H24N2O2/c1-15(2)9-12(8-13(18)10-15)16-17-14(19)11-6-4-3-5-7-11/h8,11,16H,3-7,9-10H2,1-2H3,(H,17,19)
InChIKeySXPGCTDIZMJINT-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide 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'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide?
The IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide (CID 828224) is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide.
What is the SMILES notation for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide?
The canonical SMILES for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide is CC1(C)CC(=O)C=C(NNC(=O)C2CCCCC2)C1.
What is the InChIKey of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide?
The InChIKey is SXPGCTDIZMJINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2)9-12(8-13(18)10-15)16-17-14(19)11-6-4-3-5-7-11/h8,11,16H,3-7,9-10H2,1-2H3,(H,17,19).
What are the key properties of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide?
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide has a molecular weight of 264.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclohexanecarbohydrazide is sourced from PubChem (CID 828224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).