[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone

C16H28N2O2 — CID 129430336

IUPAC[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCCN1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCOCC1
InChIInChI=1S/C16H28N2O2/c1-2-17-9-3-5-14(17)15-6-4-10-18(15)16(19)13-7-11-20-12-8-13/h13-15H,2-12H2,1H3/t14-,15+/m0/s1
InChIKeyKCCBYIGWKMWLEL-LSDHHAIUSA-N
MW280.41 g/mol
LogP1.89
Rot. Bonds3

About [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone

[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 129430336) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID129430336
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCCN1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCOCC1
InChIInChI=1S/C16H28N2O2/c1-2-17-9-3-5-14(17)15-6-4-10-18(15)16(19)13-7-11-20-12-8-13/h13-15H,2-12H2,1H3/t14-,15+/m0/s1
InChIKeyKCCBYIGWKMWLEL-LSDHHAIUSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1,1-dioxothiolan-3-yl]-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129430499
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 129428882
[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129430501
(2S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 129446622
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95294899
(2R)-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one
CID 95323894
1-(oxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209805
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129426701
cyclobutyl-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428271
cyclopentyl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95311578
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129447811
(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95308437

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 129430336) is [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone is CCN1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCOCC1.
What is the InChIKey of [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is KCCBYIGWKMWLEL-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-17-9-3-5-14(17)15-6-4-10-18(15)16(19)13-7-11-20-12-8-13/h13-15H,2-12H2,1H3/t14-,15+/m0/s1.
What are the key properties of [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 280.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 129430336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).