1-(2-acetyl-4-methylidenecyclopentyl)ethanone

C10H14O2 — CID 13218158

IUPAC1-(2-acetyl-4-methylidenecyclopentyl)ethanone
SMILESC=C1CC(C(C)=O)C(C(C)=O)C1
InChIInChI=1S/C10H14O2/c1-6-4-9(7(2)11)10(5-6)8(3)12/h9-10H,1,4-5H2,2-3H3
InChIKeyRCXHEQPMYKXBAF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds2

About 1-(2-acetyl-4-methylidenecyclopentyl)ethanone

1-(2-acetyl-4-methylidenecyclopentyl)ethanone (PubChem CID 13218158) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2-acetyl-4-methylidenecyclopentyl)ethanone.

Molecular Properties

Compound Name1-(2-acetyl-4-methylidenecyclopentyl)ethanone
PubChem CID13218158
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(2-acetyl-4-methylidenecyclopentyl)ethanone
SMILESC=C1CC(C(C)=O)C(C(C)=O)C1
InChIInChI=1S/C10H14O2/c1-6-4-9(7(2)11)10(5-6)8(3)12/h9-10H,1,4-5H2,2-3H3
InChIKeyRCXHEQPMYKXBAF-UHFFFAOYSA-N
XLogP1.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,6R)-6-acetyl-3,4-dimethylcyclohex-3-en-1-yl]ethanone
CID 130648203
1-[2-hydroxy-5-methylidene-3-(2,4,5-trihydroxybenzoyl)cyclohexyl]ethanone
CID 90826443
2-acetyl-4-oxocyclopentane-1-carboxylic acid
CID 123330818
methyl 2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 565539
1-(3-methylidenecyclopentyl)ethanone
CID 556899
cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45265238
cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride
CID 45262154
1-(1-acetyl-4-methylidenepyrrolidin-2-yl)ethanone
CID 142269029
[2-(3-methylidenecyclobutyl)-2-oxoethyl] acetate
CID 167731073
1-[(2R,3S)-3-propa-1,2-dienyl-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
CID 10013424
1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone
CID 144542761
1-(2,3,4-triacetylcyclopentyl)ethanone
CID 20647725

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-4-methylidenecyclopentyl)ethanone?
The IUPAC name of 1-(2-acetyl-4-methylidenecyclopentyl)ethanone (CID 13218158) is 1-(2-acetyl-4-methylidenecyclopentyl)ethanone.
What is the SMILES notation for 1-(2-acetyl-4-methylidenecyclopentyl)ethanone?
The canonical SMILES for 1-(2-acetyl-4-methylidenecyclopentyl)ethanone is C=C1CC(C(C)=O)C(C(C)=O)C1.
What is the InChIKey of 1-(2-acetyl-4-methylidenecyclopentyl)ethanone?
The InChIKey is RCXHEQPMYKXBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6-4-9(7(2)11)10(5-6)8(3)12/h9-10H,1,4-5H2,2-3H3.
What are the key properties of 1-(2-acetyl-4-methylidenecyclopentyl)ethanone?
1-(2-acetyl-4-methylidenecyclopentyl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-4-methylidenecyclopentyl)ethanone is sourced from PubChem (CID 13218158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).