2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one

C16H25NO — CID 114245515

IUPAC2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1C1CC2CCC1C2
InChIInChI=1S/C16H25NO/c18-16-5-1-3-13(16)14-4-2-8-17(14)15-10-11-6-7-12(15)9-11/h11-15H,1-10H2
InChIKeyFNWADFYHYYXXHR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.01
Rot. Bonds2

About 2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 114245515) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID114245515
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCN1C1CC2CCC1C2
InChIInChI=1S/C16H25NO/c18-16-5-1-3-13(16)14-4-2-8-17(14)15-10-11-6-7-12(15)9-11/h11-15H,1-10H2
InChIKeyFNWADFYHYYXXHR-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclohexylpiperidin-2-yl)cyclopentan-1-one
CID 79545397
2-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543645
2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543796
2-[1-(2-hydroxycycloheptyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79549641
2-(1-ethylpyrrolidin-2-yl)cyclopentan-1-one
CID 79543714
2-(1-propan-2-ylpyrrolidin-2-yl)cyclopentan-1-one
CID 79544025
1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23554946
2-(2-oxocyclopentyl)pyrrolidine-1-carboxamide
CID 79544313
(4aR,7aS)-1-methyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
CID 11789412
(1S,6R)-bicyclo[4.1.0]heptan-2-one
CID 10920468
2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79544634
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]azepane
CID 10774159

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 114245515) is 2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCN1C1CC2CCC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is FNWADFYHYYXXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-16-5-1-3-13(16)14-4-2-8-17(14)15-10-11-6-7-12(15)9-11/h11-15H,1-10H2.
What are the key properties of 2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 247.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 114245515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).