N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide

C10H11NO3 — CID 130011564

IUPACN-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
SMILESCC(=O)NC1=C(C)C(=O)C=C(C)C1=O
InChIInChI=1S/C10H11NO3/c1-5-4-8(13)6(2)9(10(5)14)11-7(3)12/h4H,1-3H3,(H,11,12)
InChIKeyDCZPBLXTAIMKOQ-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.49
Rot. Bonds1

About N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide

N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide (PubChem CID 130011564) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
PubChem CID130011564
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
SMILESCC(=O)NC1=C(C)C(=O)C=C(C)C1=O
InChIInChI=1S/C10H11NO3/c1-5-4-8(13)6(2)9(10(5)14)11-7(3)12/h4H,1-3H3,(H,11,12)
InChIKeyDCZPBLXTAIMKOQ-UHFFFAOYSA-N
XLogP0.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide (CID 130011564) is N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide is CC(=O)NC1=C(C)C(=O)C=C(C)C1=O.
What is the InChIKey of N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide?
The InChIKey is DCZPBLXTAIMKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-5-4-8(13)6(2)9(10(5)14)11-7(3)12/h4H,1-3H3,(H,11,12).
What are the key properties of N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide?
N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide has a molecular weight of 193.20 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide is sourced from PubChem (CID 130011564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).