(3S)-3,4-dibenzylmorpholin-2-one

C18H19NO2 — CID 51050415

IUPAC(3S)-3,4-dibenzylmorpholin-2-one
SMILESO=C1OCCN(Cc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c20-18-17(13-15-7-3-1-4-8-15)19(11-12-21-18)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyAWDZTSVNWRAROK-KRWDZBQOSA-N
MW281.36 g/mol
LogP2.66
Rot. Bonds4

About (3S)-3,4-dibenzylmorpholin-2-one

(3S)-3,4-dibenzylmorpholin-2-one (PubChem CID 51050415) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3S)-3,4-dibenzylmorpholin-2-one.

Molecular Properties

Compound Name(3S)-3,4-dibenzylmorpholin-2-one
PubChem CID51050415
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3S)-3,4-dibenzylmorpholin-2-one
SMILESO=C1OCCN(Cc2ccccc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c20-18-17(13-15-7-3-1-4-8-15)19(11-12-21-18)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyAWDZTSVNWRAROK-KRWDZBQOSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-dibenzylmorpholin-2-one?
The IUPAC name of (3S)-3,4-dibenzylmorpholin-2-one (CID 51050415) is (3S)-3,4-dibenzylmorpholin-2-one.
What is the SMILES notation for (3S)-3,4-dibenzylmorpholin-2-one?
The canonical SMILES for (3S)-3,4-dibenzylmorpholin-2-one is O=C1OCCN(Cc2ccccc2)[C@H]1Cc1ccccc1.
What is the InChIKey of (3S)-3,4-dibenzylmorpholin-2-one?
The InChIKey is AWDZTSVNWRAROK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18-17(13-15-7-3-1-4-8-15)19(11-12-21-18)14-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1.
What are the key properties of (3S)-3,4-dibenzylmorpholin-2-one?
(3S)-3,4-dibenzylmorpholin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4-dibenzylmorpholin-2-one is sourced from PubChem (CID 51050415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).