2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one

C15H19NO2 — CID 154719967

IUPAC2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one
SMILESCC1CN(C(C)C)C(=O)C(=Cc2ccccc2)O1
InChIInChI=1S/C15H19NO2/c1-11(2)16-10-12(3)18-14(15(16)17)9-13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3
InChIKeyNCXHZBUDKJZAFZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.68
Rot. Bonds2

About 2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one

2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one (PubChem CID 154719967) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one
PubChem CID154719967
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one
SMILESCC1CN(C(C)C)C(=O)C(=Cc2ccccc2)O1
InChIInChI=1S/C15H19NO2/c1-11(2)16-10-12(3)18-14(15(16)17)9-13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3
InChIKeyNCXHZBUDKJZAFZ-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one?
The IUPAC name of 2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one (CID 154719967) is 2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one.
What is the SMILES notation for 2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one?
The canonical SMILES for 2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one is CC1CN(C(C)C)C(=O)C(=Cc2ccccc2)O1.
What is the InChIKey of 2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one?
The InChIKey is NCXHZBUDKJZAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(2)16-10-12(3)18-14(15(16)17)9-13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one?
2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one has a molecular weight of 245.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-6-methyl-4-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 154719967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).