1-(4-methylcyclopenten-1-yl)ethanone

C8H12O — CID 67159901

IUPAC1-(4-methylcyclopenten-1-yl)ethanone
SMILESCC(=O)C1=CCC(C)C1
InChIInChI=1S/C8H12O/c1-6-3-4-8(5-6)7(2)9/h4,6H,3,5H2,1-2H3
InChIKeyMNFQHOPIPQIXSR-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds1

About 1-(4-methylcyclopenten-1-yl)ethanone

1-(4-methylcyclopenten-1-yl)ethanone (PubChem CID 67159901) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-(4-methylcyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylcyclopenten-1-yl)ethanone
PubChem CID67159901
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-(4-methylcyclopenten-1-yl)ethanone
SMILESCC(=O)C1=CCC(C)C1
InChIInChI=1S/C8H12O/c1-6-3-4-8(5-6)7(2)9/h4,6H,3,5H2,1-2H3
InChIKeyMNFQHOPIPQIXSR-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclopenten-1-yl)ethanone?
The IUPAC name of 1-(4-methylcyclopenten-1-yl)ethanone (CID 67159901) is 1-(4-methylcyclopenten-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylcyclopenten-1-yl)ethanone?
The canonical SMILES for 1-(4-methylcyclopenten-1-yl)ethanone is CC(=O)C1=CCC(C)C1.
What is the InChIKey of 1-(4-methylcyclopenten-1-yl)ethanone?
The InChIKey is MNFQHOPIPQIXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-3-4-8(5-6)7(2)9/h4,6H,3,5H2,1-2H3.
What are the key properties of 1-(4-methylcyclopenten-1-yl)ethanone?
1-(4-methylcyclopenten-1-yl)ethanone has a molecular weight of 124.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclopenten-1-yl)ethanone is sourced from PubChem (CID 67159901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).