4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one

C15H19NO4 — CID 15117302

IUPAC4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one
SMILESCC1(C2CN(Cc3ccccc3)C(=O)CO2)OCCO1
InChIInChI=1S/C15H19NO4/c1-15(19-7-8-20-15)13-10-16(14(17)11-18-13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyALGONCLOBWOHIB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.18
Rot. Bonds3

About 4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one

4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one (PubChem CID 15117302) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one.

Molecular Properties

Compound Name4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one
PubChem CID15117302
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one
SMILESCC1(C2CN(Cc3ccccc3)C(=O)CO2)OCCO1
InChIInChI=1S/C15H19NO4/c1-15(19-7-8-20-15)13-10-16(14(17)11-18-13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyALGONCLOBWOHIB-UHFFFAOYSA-N
XLogP1.18
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one?
The IUPAC name of 4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one (CID 15117302) is 4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one.
What is the SMILES notation for 4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one?
The canonical SMILES for 4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one is CC1(C2CN(Cc3ccccc3)C(=O)CO2)OCCO1.
What is the InChIKey of 4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one?
The InChIKey is ALGONCLOBWOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(19-7-8-20-15)13-10-16(14(17)11-18-13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of 4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one?
4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one has a molecular weight of 277.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-(2-methyl-1,3-dioxolan-2-yl)morpholin-3-one is sourced from PubChem (CID 15117302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).