4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one

C14H21NO — CID 153487913

IUPAC4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1C2C3CCC(C3)C2CN1C1CCCC1
InChIInChI=1S/C14H21NO/c16-14-13-10-6-5-9(7-10)12(13)8-15(14)11-3-1-2-4-11/h9-13H,1-8H2
InChIKeyOUYKQKFZCFWHQO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.43
Rot. Bonds1

About 4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one

4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 153487913) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one
PubChem CID153487913
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1C2C3CCC(C3)C2CN1C1CCCC1
InChIInChI=1S/C14H21NO/c16-14-13-10-6-5-9(7-10)12(13)8-15(14)11-3-1-2-4-11/h9-13H,1-8H2
InChIKeyOUYKQKFZCFWHQO-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of 4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one (CID 153487913) is 4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for 4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for 4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one is O=C1C2C3CCC(C3)C2CN1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is OUYKQKFZCFWHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c16-14-13-10-6-5-9(7-10)12(13)8-15(14)11-3-1-2-4-11/h9-13H,1-8H2.
What are the key properties of 4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 219.33 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-4-azatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 153487913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).