3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one

C11H16O2 — CID 121217828

IUPAC3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one
SMILESO=C1CCC(CC2CCC(=O)C2)C1
InChIInChI=1S/C11H16O2/c12-10-3-1-8(6-10)5-9-2-4-11(13)7-9/h8-9H,1-7H2
InChIKeySAIWEUNFXOXLJZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds2

About 3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one

3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one (PubChem CID 121217828) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one
PubChem CID121217828
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one
SMILESO=C1CCC(CC2CCC(=O)C2)C1
InChIInChI=1S/C11H16O2/c12-10-3-1-8(6-10)5-9-2-4-11(13)7-9/h8-9H,1-7H2
InChIKeySAIWEUNFXOXLJZ-UHFFFAOYSA-N
XLogP2.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one?
The IUPAC name of 3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one (CID 121217828) is 3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one.
What is the SMILES notation for 3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one?
The canonical SMILES for 3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one is O=C1CCC(CC2CCC(=O)C2)C1.
What is the InChIKey of 3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one?
The InChIKey is SAIWEUNFXOXLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-10-3-1-8(6-10)5-9-2-4-11(13)7-9/h8-9H,1-7H2.
What are the key properties of 3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one?
3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one is sourced from PubChem (CID 121217828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).