2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide

C8H11NO2 — CID 59856266

IUPAC2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide
SMILESCC1=CC(=O)C(CC(N)=O)C1
InChIInChI=1S/C8H11NO2/c1-5-2-6(4-8(9)11)7(10)3-5/h3,6H,2,4H2,1H3,(H2,9,11)
InChIKeySJPIUMPDHCFJMP-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.40
Rot. Bonds2

About 2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide

2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide (PubChem CID 59856266) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide
PubChem CID59856266
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide
SMILESCC1=CC(=O)C(CC(N)=O)C1
InChIInChI=1S/C8H11NO2/c1-5-2-6(4-8(9)11)7(10)3-5/h3,6H,2,4H2,1H3,(H2,9,11)
InChIKeySJPIUMPDHCFJMP-UHFFFAOYSA-N
XLogP0.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide (CID 59856266) is 2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide is CC1=CC(=O)C(CC(N)=O)C1.
What is the InChIKey of 2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide?
The InChIKey is SJPIUMPDHCFJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-2-6(4-8(9)11)7(10)3-5/h3,6H,2,4H2,1H3,(H2,9,11).
What are the key properties of 2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide?
2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide has a molecular weight of 153.18 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetamide is sourced from PubChem (CID 59856266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).