N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide

C9H11NO2 — CID 70566470

IUPACN-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1C=CC(C)=CC1=O
InChIInChI=1S/C9H11NO2/c1-6-3-4-8(9(12)5-6)10-7(2)11/h3-5,8H,1-2H3,(H,10,11)
InChIKeyGVKXTVYVSAUHNP-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.58
Rot. Bonds1

About N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide

N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 70566470) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide
PubChem CID70566470
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1C=CC(C)=CC1=O
InChIInChI=1S/C9H11NO2/c1-6-3-4-8(9(12)5-6)10-7(2)11/h3-5,8H,1-2H3,(H,10,11)
InChIKeyGVKXTVYVSAUHNP-UHFFFAOYSA-N
XLogP0.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide (CID 70566470) is N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide is CC(=O)NC1C=CC(C)=CC1=O.
What is the InChIKey of N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is GVKXTVYVSAUHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-3-4-8(9(12)5-6)10-7(2)11/h3-5,8H,1-2H3,(H,10,11).
What are the key properties of N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide?
N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 165.19 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 70566470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).