1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone

C15H27NO2 — CID 170366512

IUPAC1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone
SMILESCC(=O)C1CCCC1OC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C15H27NO2/c1-11(2)16-9-5-6-13(16)10-18-15-8-4-7-14(15)12(3)17/h11,13-15H,4-10H2,1-3H3/t13-,14?,15?/m0/s1
InChIKeyPCXRYSJUGHMDOA-NFOMZHRRSA-N
MW253.39 g/mol
LogP2.63
Rot. Bonds5

About 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone

1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone (PubChem CID 170366512) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone
PubChem CID170366512
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone
SMILESCC(=O)C1CCCC1OC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C15H27NO2/c1-11(2)16-9-5-6-13(16)10-18-15-8-4-7-14(15)12(3)17/h11,13-15H,4-10H2,1-3H3/t13-,14?,15?/m0/s1
InChIKeyPCXRYSJUGHMDOA-NFOMZHRRSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone?
The IUPAC name of 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone (CID 170366512) is 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone.
What is the SMILES notation for 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone?
The canonical SMILES for 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone is CC(=O)C1CCCC1OC[C@@H]1CCCN1C(C)C.
What is the InChIKey of 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone?
The InChIKey is PCXRYSJUGHMDOA-NFOMZHRRSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(2)16-9-5-6-13(16)10-18-15-8-4-7-14(15)12(3)17/h11,13-15H,4-10H2,1-3H3/t13-,14?,15?/m0/s1.
What are the key properties of 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone?
1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone has a molecular weight of 253.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone is sourced from PubChem (CID 170366512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).