trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one

C14H25NO2 — CID 10421745

IUPACtrans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one
SMILESCC[C@H]1CCC(=O)[C@@H]1CN1CCC[C@H]1COC
InChIInChI=1S/C14H25NO2/c1-3-11-6-7-14(16)13(11)9-15-8-4-5-12(15)10-17-2/h11-13H,3-10H2,1-2H3/t11-,12-,13+/m0/s1
InChIKeyLCWPRMUIMWLBOC-RWMBFGLXSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds5

About trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one

trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one (PubChem CID 10421745) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one
PubChem CID10421745
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametrans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one
SMILESCC[C@H]1CCC(=O)[C@@H]1CN1CCC[C@H]1COC
InChIInChI=1S/C14H25NO2/c1-3-11-6-7-14(16)13(11)9-15-8-4-5-12(15)10-17-2/h11-13H,3-10H2,1-2H3/t11-,12-,13+/m0/s1
InChIKeyLCWPRMUIMWLBOC-RWMBFGLXSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one?
The IUPAC name of trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one (CID 10421745) is trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one.
What is the SMILES notation for trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one?
The canonical SMILES for trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one is CC[C@H]1CCC(=O)[C@@H]1CN1CCC[C@H]1COC.
What is the InChIKey of trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one?
The InChIKey is LCWPRMUIMWLBOC-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-11-6-7-14(16)13(11)9-15-8-4-5-12(15)10-17-2/h11-13H,3-10H2,1-2H3/t11-,12-,13+/m0/s1.
What are the key properties of trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one?
trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one is sourced from PubChem (CID 10421745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).