4-benzyl-5,5-dimethylmorpholin-2-one

C13H17NO2 — CID 91699430

IUPAC4-benzyl-5,5-dimethylmorpholin-2-one
SMILESCC1(C)COC(=O)CN1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(2)10-16-12(15)9-14(13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyXKUVUEXRJNQETB-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.82
Rot. Bonds2

About 4-benzyl-5,5-dimethylmorpholin-2-one

4-benzyl-5,5-dimethylmorpholin-2-one (PubChem CID 91699430) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-benzyl-5,5-dimethylmorpholin-2-one.

Molecular Properties

Compound Name4-benzyl-5,5-dimethylmorpholin-2-one
PubChem CID91699430
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-benzyl-5,5-dimethylmorpholin-2-one
SMILESCC1(C)COC(=O)CN1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(2)10-16-12(15)9-14(13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyXKUVUEXRJNQETB-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(4-benzylpiperazin-1-yl)acetate
CID 5060109
Benzenemethanaminium, N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-, chloride (1:1)
CID 94530
Dimethylaminoethyl acrylate benzyl chloride
CID 162073
4-Benzylmorpholine
CID 249546
Ethyl 1-benzylpiperidine-4-carboxylate
CID 90423
N-Benzylglycine ethyl ester
CID 80908
4-Benzylmorpholine hydrochloride
CID 2849468
2-(Benzylmethylamino)ethyl acetoacetate
CID 11776829
Ethyl 1-benzylpiperidine-2-carboxylate
CID 2838690
2-(Morpholin-4-ylmethyl)benzeneboronic acid
CID 11736160
Methyl 2-(benzylamino)acetate
CID 422659
Methyl 2-(benzylamino)propanoate
CID 426249

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5,5-dimethylmorpholin-2-one?
The IUPAC name of 4-benzyl-5,5-dimethylmorpholin-2-one (CID 91699430) is 4-benzyl-5,5-dimethylmorpholin-2-one.
What is the SMILES notation for 4-benzyl-5,5-dimethylmorpholin-2-one?
The canonical SMILES for 4-benzyl-5,5-dimethylmorpholin-2-one is CC1(C)COC(=O)CN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5,5-dimethylmorpholin-2-one?
The InChIKey is XKUVUEXRJNQETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2)10-16-12(15)9-14(13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 4-benzyl-5,5-dimethylmorpholin-2-one?
4-benzyl-5,5-dimethylmorpholin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5,5-dimethylmorpholin-2-one is sourced from PubChem (CID 91699430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).