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

C13H22N2O2 — CID 4595883

IUPACN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC1(C)CC(=O)C=C(NNC(=O)C(C)(C)C)C1
InChIInChI=1S/C13H22N2O2/c1-12(2,3)11(17)15-14-9-6-10(16)8-13(4,5)7-9/h6,14H,7-8H2,1-5H3,(H,15,17)
InChIKeyUHISRXADMXBHGW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.93
Rot. Bonds2

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

N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 4595883) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID4595883
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC1(C)CC(=O)C=C(NNC(=O)C(C)(C)C)C1
InChIInChI=1S/C13H22N2O2/c1-12(2,3)11(17)15-14-9-6-10(16)8-13(4,5)7-9/h6,14H,7-8H2,1-5H3,(H,15,17)
InChIKeyUHISRXADMXBHGW-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.93
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

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CID 3134448
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CID 4043158
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CID 817262
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CID 5339375
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CID 13568893
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Frequently Asked Questions

What is the IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide (CID 4595883) is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide is CC1(C)CC(=O)C=C(NNC(=O)C(C)(C)C)C1.
What is the InChIKey of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is UHISRXADMXBHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(2,3)11(17)15-14-9-6-10(16)8-13(4,5)7-9/h6,14H,7-8H2,1-5H3,(H,15,17).
What are the key properties of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide?
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 238.33 g/mol, XLogP of 1.93, 2 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)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 4595883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).