N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide

C12H20N2O2 — CID 5339375

IUPACN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C12H20N2O2/c1-8(2)11(16)14-13-9-5-10(15)7-12(3,4)6-9/h5,8,13H,6-7H2,1-4H3,(H,14,16)
InChIKeyLSRMCJCYAIHZIF-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.54
Rot. Bonds3

About N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide

N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide (PubChem CID 5339375) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide
PubChem CID5339375
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C12H20N2O2/c1-8(2)11(16)14-13-9-5-10(15)7-12(3,4)6-9/h5,8,13H,6-7H2,1-4H3,(H,14,16)
InChIKeyLSRMCJCYAIHZIF-UHFFFAOYSA-N
XLogP1.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)hydrazinecarboxylate
CID 13789677
N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)undec-10-enehydrazide
CID 5134273
6-(2-cyclohexylethyl)-4-hydroxypyridazin-3(2H)-one
CID 71270399
6-(3,3-Dimethylbutyl)-1,2-dihydropyridazine-3,4-dione
CID 71655536
N'-(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-ylidene)cyclohexanecarbohydrazide
CID 828224
Tert-butyl 2-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)hydrazinecarboxylate
CID 4433550
N'-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-4-hydroxypentanehydrazide
CID 3134448
6-(2-cyclopentylethyl)-4-hydroxypyridazin-3(2H)-one
CID 71270073
6-(Cyclohexylmethyl)-4-hydroxypyridazin-3(2H)-one
CID 71270563
5,5-Dimethyl-3-(2,2-dimethylhydrazino)-2-cyclohexen-1-one
CID 4043158
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide
CID 817262
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetohydrazide
CID 13568893

Frequently Asked Questions

What is the IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide?
The IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide (CID 5339375) is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide.
What is the SMILES notation for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide?
The canonical SMILES for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide is CC(C)C(=O)NNC1=CC(=O)CC(C)(C)C1.
What is the InChIKey of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide?
The InChIKey is LSRMCJCYAIHZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)11(16)14-13-9-5-10(15)7-12(3,4)6-9/h5,8,13H,6-7H2,1-4H3,(H,14,16).
What are the key properties of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide?
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylpropanehydrazide has a molecular weight of 224.30 g/mol, XLogP of 1.54, 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)-2-methylpropanehydrazide is sourced from PubChem (CID 5339375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).