2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine

HCID 323251

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 58137-29-4
Standard SMILES: CC1(C)CC(=O)C(CC(=O)c2ccccc2)=C(NN=C(N)N)C1
InChIKey: VTDUVDKBMAIMIR-UHFFFAOYSA-N
Molecular formula: C17H22N4O2
Average molar mass: 314.4 g/mol
Monoisotopic mass: 314.17427596

Names & identifiers

Preferred name: 2-[(5,5-Dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine
IUPAC: 2-[(5,5-dimethyl-3-oxo-2-phenacylcyclohexen-1-yl)amino]guanidine

Names & synonyms

MLS00311554258137-29-4NSC282137CHEMBL3276256DTXSID30314364NSC-282137SMR001831116DS-011286HYDRAZINECARBOXIMIDAMIDE,2-[5,5-DIMETHYL-3-OXO-2-(2-OXO-2-PHENYLETHYL)-1-CYCLOHEXEN-1-YL]-N''-[5,5-Dimethyl-3-oxo-2-(2-oxo-2-phenylethyl)cyclohex-1-en-1-yl]carbonohydrazonic diamide

Database identifiers

CAS: 58137-29-4
PubChem CID: 323251
DTXSID: DTXSID30314364
ChEMBL: CHEMBL3276256

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 111 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 539

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…