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

C12H18N2O2 — CID 817262

IUPACN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide
SMILESCC1(C)CC(=O)C=C(NNC(=O)C2CC2)C1
InChIInChI=1S/C12H18N2O2/c1-12(2)6-9(5-10(15)7-12)13-14-11(16)8-3-4-8/h5,8,13H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeyKKTJGIQEOSQSQT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.29
Rot. Bonds3

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

N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide (PubChem CID 817262) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide
PubChem CID817262
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide
SMILESCC1(C)CC(=O)C=C(NNC(=O)C2CC2)C1
InChIInChI=1S/C12H18N2O2/c1-12(2)6-9(5-10(15)7-12)13-14-11(16)8-3-4-8/h5,8,13H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeyKKTJGIQEOSQSQT-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.29
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-(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
6-(2-cyclopropylethyl)-4-hydroxypyridazin-3(2H)-one
CID 71504945
5,5-Dimethyl-3-(2,2-dimethylhydrazino)-2-cyclohexen-1-one
CID 4043158
N'-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-2-methylpropanohydrazide
CID 5339375
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)acetohydrazide
CID 13568893
N'-[(5R)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide
CID 2417583
N'-[(5S)-3,3,5-trimethylcyclohexen-1-yl]cyclopropanecarbohydrazide
CID 2417586
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)propanehydrazide
CID 3388786

Frequently Asked Questions

What is the IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide?
The IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide (CID 817262) is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide.
What is the SMILES notation for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide?
The canonical SMILES for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide is CC1(C)CC(=O)C=C(NNC(=O)C2CC2)C1.
What is the InChIKey of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide?
The InChIKey is KKTJGIQEOSQSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2)6-9(5-10(15)7-12)13-14-11(16)8-3-4-8/h5,8,13H,3-4,6-7H2,1-2H3,(H,14,16).
What are the key properties of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide?
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)cyclopropanecarbohydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.29, 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)cyclopropanecarbohydrazide is sourced from PubChem (CID 817262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).