N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide

C9H11NO3 — CID 23264533

IUPACN-acetyl-N-(5-oxocyclopenten-1-yl)acetamide
SMILESCC(=O)N(C(C)=O)C1=CCCC1=O
InChIInChI=1S/C9H11NO3/c1-6(11)10(7(2)12)8-4-3-5-9(8)13/h4H,3,5H2,1-2H3
InChIKeyCPBAFYFJUVYQIL-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.63
Rot. Bonds1

About N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide

N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide (PubChem CID 23264533) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(5-oxocyclopenten-1-yl)acetamide
PubChem CID23264533
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameN-acetyl-N-(5-oxocyclopenten-1-yl)acetamide
SMILESCC(=O)N(C(C)=O)C1=CCCC1=O
InChIInChI=1S/C9H11NO3/c1-6(11)10(7(2)12)8-4-3-5-9(8)13/h4H,3,5H2,1-2H3
InChIKeyCPBAFYFJUVYQIL-UHFFFAOYSA-N
XLogP0.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ditert-butylamino)cyclopent-2-en-1-one
CID 59979795
5-oxocyclopentene-1-carboxylic acid
CID 19392068
2-(ditert-butylamino)cyclohex-2-en-1-one
CID 59979799
2-(5-oxocyclopenten-1-yl)ethyl acetate
CID 13075020
(1E,5E)-5-methyl-9-oxocyclonona-1,5-diene-1-carboxylic acid
CID 78426242
1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate
CID 86225314
N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene
CID 143342745
N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide
CID 89036073
3-phenyl-2-propan-2-ylidenecyclohex-3-en-1-one
CID 10798606
cyclopropanone;propan-2-one
CID 68522509
cyclopenten-1-yl acetate
CID 4640893
4-methyl-2-methylidenecyclohept-4-en-1-one
CID 100986645

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide?
The IUPAC name of N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide (CID 23264533) is N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide?
The canonical SMILES for N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide is CC(=O)N(C(C)=O)C1=CCCC1=O.
What is the InChIKey of N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide?
The InChIKey is CPBAFYFJUVYQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(11)10(7(2)12)8-4-3-5-9(8)13/h4H,3,5H2,1-2H3.
What are the key properties of N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide?
N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide is sourced from PubChem (CID 23264533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).