2-(1-adamantyl)cyclopentan-1-one

C15H22O — CID 584847

IUPAC2-(1-adamantyl)cyclopentan-1-one
SMILESO=C1CCCC1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22O/c16-14-3-1-2-13(14)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-13H,1-9H2
InChIKeySJHJFLNFWMCUFF-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.57
Rot. Bonds1

About 2-(1-adamantyl)cyclopentan-1-one

2-(1-adamantyl)cyclopentan-1-one (PubChem CID 584847) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(1-adamantyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1-adamantyl)cyclopentan-1-one
PubChem CID584847
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-(1-adamantyl)cyclopentan-1-one
SMILESO=C1CCCC1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22O/c16-14-3-1-2-13(14)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-13H,1-9H2
InChIKeySJHJFLNFWMCUFF-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)cyclopentan-1-one?
The IUPAC name of 2-(1-adamantyl)cyclopentan-1-one (CID 584847) is 2-(1-adamantyl)cyclopentan-1-one.
What is the SMILES notation for 2-(1-adamantyl)cyclopentan-1-one?
The canonical SMILES for 2-(1-adamantyl)cyclopentan-1-one is O=C1CCCC1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)cyclopentan-1-one?
The InChIKey is SJHJFLNFWMCUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c16-14-3-1-2-13(14)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-13H,1-9H2.
What are the key properties of 2-(1-adamantyl)cyclopentan-1-one?
2-(1-adamantyl)cyclopentan-1-one has a molecular weight of 218.34 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)cyclopentan-1-one is sourced from PubChem (CID 584847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).