1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one

C19H26N2O2 — CID 155500531

IUPAC1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1
InChIInChI=1S/C19H26N2O2/c22-19-7-4-10-21(19)12-11-20-13-17(15-5-2-1-3-6-15)23-18(14-20)16-8-9-16/h1-3,5-6,16-18H,4,7-14H2/t17-,18+/m0/s1
InChIKeyYZOJKHKOXUDQKD-ZWKOTPCHSA-N
MW314.43 g/mol
LogP2.46
Rot. Bonds5

About 1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 155500531) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID155500531
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1
InChIInChI=1S/C19H26N2O2/c22-19-7-4-10-21(19)12-11-20-13-17(15-5-2-1-3-6-15)23-18(14-20)16-8-9-16/h1-3,5-6,16-18H,4,7-14H2/t17-,18+/m0/s1
InChIKeyYZOJKHKOXUDQKD-ZWKOTPCHSA-N
XLogP2.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one
CID 164696726
1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95145336
(2S,6R)-2-cyclopropyl-N,N-dimethyl-6-phenylmorpholine-4-sulfonamide
CID 134709238
(3aS,6R,7aS)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-phenyl-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid
CID 164636458
(2S,6R)-2-cyclopropyl-4-[(5-methyl-2-pyridinyl)methyl]-6-phenylmorpholine
CID 134706467
(3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97205793
(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 134961607
(6R)-6-phenyl-4-(2-piperidin-4-ylethyl)morpholin-3-one
CID 90272569
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 133113683
1-[2-oxo-2-[(2S)-2-phenylazetidin-1-yl]ethyl]pyrrolidin-2-one
CID 97278240
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95592054

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one (CID 155500531) is 1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCN1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1.
What is the InChIKey of 1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is YZOJKHKOXUDQKD-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-19-7-4-10-21(19)12-11-20-13-17(15-5-2-1-3-6-15)23-18(14-20)16-8-9-16/h1-3,5-6,16-18H,4,7-14H2/t17-,18+/m0/s1.
What are the key properties of 1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 155500531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).