N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide

C10H15NO4 — CID 558111

IUPACN-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide
SMILESCOC1C(=O)C=CC(NC(C)=O)C1OC
InChIInChI=1S/C10H15NO4/c1-6(12)11-7-4-5-8(13)10(15-3)9(7)14-2/h4-5,7,9-10H,1-3H3,(H,11,12)
InChIKeyJTJLBNDDKPVTPP-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.34
Rot. Bonds3

About N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide

N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide (PubChem CID 558111) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide
PubChem CID558111
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide
SMILESCOC1C(=O)C=CC(NC(C)=O)C1OC
InChIInChI=1S/C10H15NO4/c1-6(12)11-7-4-5-8(13)10(15-3)9(7)14-2/h4-5,7,9-10H,1-3H3,(H,11,12)
InChIKeyJTJLBNDDKPVTPP-UHFFFAOYSA-N
XLogP-0.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one
CID 59079558
methyl N-[(3aS,4S,7aS)-2,2-dimethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl]carbamate
CID 10868426
methyl N-[(3aR,4S,7aR)-2,2-dimethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl]carbamate
CID 100946061
methyl N-[(3aS,4R,7aS)-2,2-dimethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl]carbamate
CID 101511555

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide?
The IUPAC name of N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide (CID 558111) is N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide.
What is the SMILES notation for N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide?
The canonical SMILES for N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide is COC1C(=O)C=CC(NC(C)=O)C1OC.
What is the InChIKey of N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide?
The InChIKey is JTJLBNDDKPVTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6(12)11-7-4-5-8(13)10(15-3)9(7)14-2/h4-5,7,9-10H,1-3H3,(H,11,12).
What are the key properties of N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide?
N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide has a molecular weight of 213.23 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-4-oxocyclohex-2-en-1-yl)acetamide is sourced from PubChem (CID 558111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).