1-[(1R,2S)-2-methylcyclopentyl]ethanone

C8H14O — CID 12734620

IUPAC1-[(1R,2S)-2-methylcyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C8H14O/c1-6-4-3-5-8(6)7(2)9/h6,8H,3-5H2,1-2H3/t6-,8+/m0/s1
InChIKeySIXBTZFYFSHXJI-POYBYMJQSA-N
MW126.20 g/mol
LogP2.01
Rot. Bonds1

About 1-[(1R,2S)-2-methylcyclopentyl]ethanone

1-[(1R,2S)-2-methylcyclopentyl]ethanone (PubChem CID 12734620) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-2-methylcyclopentyl]ethanone
PubChem CID12734620
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-[(1R,2S)-2-methylcyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C8H14O/c1-6-4-3-5-8(6)7(2)9/h6,8H,3-5H2,1-2H3/t6-,8+/m0/s1
InChIKeySIXBTZFYFSHXJI-POYBYMJQSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methylcyclopentyl]ethanone?
The IUPAC name of 1-[(1R,2S)-2-methylcyclopentyl]ethanone (CID 12734620) is 1-[(1R,2S)-2-methylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-2-methylcyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-2-methylcyclopentyl]ethanone is CC(=O)[C@@H]1CCC[C@@H]1C.
What is the InChIKey of 1-[(1R,2S)-2-methylcyclopentyl]ethanone?
The InChIKey is SIXBTZFYFSHXJI-POYBYMJQSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-3-5-8(6)7(2)9/h6,8H,3-5H2,1-2H3/t6-,8+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-methylcyclopentyl]ethanone?
1-[(1R,2S)-2-methylcyclopentyl]ethanone has a molecular weight of 126.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methylcyclopentyl]ethanone is sourced from PubChem (CID 12734620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).