2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one

C14H25NO — CID 79568823

IUPAC2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one
SMILESCC(C)C1CCCN1CCC1CCCC1=O
InChIInChI=1S/C14H25NO/c1-11(2)13-6-4-9-15(13)10-8-12-5-3-7-14(12)16/h11-13H,3-10H2,1-2H3
InChIKeyLWSFNKKAQRZOJC-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds4

About 2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one

2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one (PubChem CID 79568823) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one
PubChem CID79568823
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one
SMILESCC(C)C1CCCN1CCC1CCCC1=O
InChIInChI=1S/C14H25NO/c1-11(2)13-6-4-9-15(13)10-8-12-5-3-7-14(12)16/h11-13H,3-10H2,1-2H3
InChIKeyLWSFNKKAQRZOJC-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,3-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-one
CID 79568968
1-[2-(2-oxocyclopentyl)ethyl]piperidine-2-carboxamide
CID 79568666
(2S)-2-propan-2-yl-1-propylpyrrolidine
CID 59252927
1-(4-methylpentyl)-2-propan-2-ylpyrrolidine
CID 163278091
2-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]cyclopentan-1-one
CID 79570038
1-methyl-4-[2-(2-oxocyclopentyl)ethyl]piperazine-2,3-dione
CID 79570180
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
2-(3-methylbutyl)cyclohexan-1-one
CID 12840280
(2S)-2-(3-methylbutyl)cyclohexan-1-one
CID 101110174
2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one
CID 79570162
3-[2-(2-oxocyclopentyl)ethyl]-1,3-oxazolidin-2-one
CID 79568538
3-(2-propan-2-ylpyrrolidin-1-yl)propane-1-sulfonyl chloride
CID 112594739

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one (CID 79568823) is 2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one is CC(C)C1CCCN1CCC1CCCC1=O.
What is the InChIKey of 2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one?
The InChIKey is LWSFNKKAQRZOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)13-6-4-9-15(13)10-8-12-5-3-7-14(12)16/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one?
2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one has a molecular weight of 223.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]cyclopentan-1-one is sourced from PubChem (CID 79568823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).