2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide

C10H15NO3 — CID 164948722

IUPAC2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCC(=O)C(=O)C1
InChIInChI=1S/C10H15NO3/c1-11(2)10(14)6-7-3-4-8(12)9(13)5-7/h7H,3-6H2,1-2H3
InChIKeyAABRDMARGKHAKK-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.40
Rot. Bonds2

About 2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide

2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide (PubChem CID 164948722) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide
PubChem CID164948722
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCC(=O)C(=O)C1
InChIInChI=1S/C10H15NO3/c1-11(2)10(14)6-7-3-4-8(12)9(13)5-7/h7H,3-6H2,1-2H3
InChIKeyAABRDMARGKHAKK-UHFFFAOYSA-N
XLogP0.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dioxocyclohexyl)acetamide
CID 167051980
2-(4-aminocyclohexyl)-N,N-dimethylacetamide
CID 62781479
2-(dioxan-4-yl)-N,N-dimethylacetamide
CID 87380199
2-[(2R)-azetidin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 118994739
1-(5-ethyl-2-oxocyclohexylidene)ethyl acetate
CID 174440121
2-(3-azaspiro[5.5]undecan-9-yl)-N,N-dimethylacetamide;hydrochloride
CID 134069831
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 110283411
2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 119200234
N-(4-aminocyclohexyl)-N-methyl-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide;hydrochloride
CID 170897051
2-(2-aminocyclohexyl)-N,N-dimethylacetamide
CID 62781478
N,N-dimethyl-2-(1-thieno[3,2-b]pyridin-7-ylpiperidin-4-yl)acetamide
CID 136522053
(2E)-2-(dimethylaminomethylidene)-4-ethylcyclohexan-1-one
CID 164643569

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide (CID 164948722) is 2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide is CN(C)C(=O)CC1CCC(=O)C(=O)C1.
What is the InChIKey of 2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide?
The InChIKey is AABRDMARGKHAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-11(2)10(14)6-7-3-4-8(12)9(13)5-7/h7H,3-6H2,1-2H3.
What are the key properties of 2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide?
2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide has a molecular weight of 197.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dioxocyclohexyl)-N,N-dimethylacetamide is sourced from PubChem (CID 164948722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).