2-phenyl-4-propan-2-ylmorpholin-3-one

C13H17NO2 — CID 3056628

IUPAC2-phenyl-4-propan-2-ylmorpholin-3-one
SMILESCC(C)N1CCOC(c2ccccc2)C1=O
InChIInChI=1S/C13H17NO2/c1-10(2)14-8-9-16-12(13(14)15)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyLNELMECWNWZMFL-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.99
Rot. Bonds2

About 2-phenyl-4-propan-2-ylmorpholin-3-one

2-phenyl-4-propan-2-ylmorpholin-3-one (PubChem CID 3056628) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-phenyl-4-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name2-phenyl-4-propan-2-ylmorpholin-3-one
PubChem CID3056628
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-phenyl-4-propan-2-ylmorpholin-3-one
SMILESCC(C)N1CCOC(c2ccccc2)C1=O
InChIInChI=1S/C13H17NO2/c1-10(2)14-8-9-16-12(13(14)15)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyLNELMECWNWZMFL-UHFFFAOYSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-propan-2-ylmorpholin-3-one?
The IUPAC name of 2-phenyl-4-propan-2-ylmorpholin-3-one (CID 3056628) is 2-phenyl-4-propan-2-ylmorpholin-3-one.
What is the SMILES notation for 2-phenyl-4-propan-2-ylmorpholin-3-one?
The canonical SMILES for 2-phenyl-4-propan-2-ylmorpholin-3-one is CC(C)N1CCOC(c2ccccc2)C1=O.
What is the InChIKey of 2-phenyl-4-propan-2-ylmorpholin-3-one?
The InChIKey is LNELMECWNWZMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(2)14-8-9-16-12(13(14)15)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of 2-phenyl-4-propan-2-ylmorpholin-3-one?
2-phenyl-4-propan-2-ylmorpholin-3-one has a molecular weight of 219.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 3056628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).