N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide

C10H15NO3 — CID 4994271

IUPACN-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide
SMILESCC(=O)NC1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C10H15NO3/c1-6(12)11-9-7(13)4-10(2,3)5-8(9)14/h9H,4-5H2,1-3H3,(H,11,12)
InChIKeyTVWCACBZLDINLV-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.45
Rot. Bonds1

About N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide

N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide (PubChem CID 4994271) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide
PubChem CID4994271
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide
SMILESCC(=O)NC1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C10H15NO3/c1-6(12)11-9-7(13)4-10(2,3)5-8(9)14/h9H,4-5H2,1-3H3,(H,11,12)
InChIKeyTVWCACBZLDINLV-UHFFFAOYSA-N
XLogP0.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide?
The IUPAC name of N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide (CID 4994271) is N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide.
What is the SMILES notation for N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide?
The canonical SMILES for N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide is CC(=O)NC1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide?
The InChIKey is TVWCACBZLDINLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(12)11-9-7(13)4-10(2,3)5-8(9)14/h9H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide?
N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide has a molecular weight of 197.23 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2,6-dioxocyclohexyl)acetamide is sourced from PubChem (CID 4994271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).