prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate

C17H23NO3 — CID 143243225

IUPACprop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate
SMILESC=CCOC(=O)c1cc(C(C)C)ccc1N1CCOCC1
InChIInChI=1S/C17H23NO3/c1-4-9-21-17(19)15-12-14(13(2)3)5-6-16(15)18-7-10-20-11-8-18/h4-6,12-13H,1,7-11H2,2-3H3
InChIKeyINQUHRDOGXCIQU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.99
Rot. Bonds5

About prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate

prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate (PubChem CID 143243225) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate.

Molecular Properties

Compound Nameprop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate
PubChem CID143243225
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameprop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate
SMILESC=CCOC(=O)c1cc(C(C)C)ccc1N1CCOCC1
InChIInChI=1S/C17H23NO3/c1-4-9-21-17(19)15-12-14(13(2)3)5-6-16(15)18-7-10-20-11-8-18/h4-6,12-13H,1,7-11H2,2-3H3
InChIKeyINQUHRDOGXCIQU-UHFFFAOYSA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate?
The IUPAC name of prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate (CID 143243225) is prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate.
What is the SMILES notation for prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate?
The canonical SMILES for prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate is C=CCOC(=O)c1cc(C(C)C)ccc1N1CCOCC1.
What is the InChIKey of prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate?
The InChIKey is INQUHRDOGXCIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-9-21-17(19)15-12-14(13(2)3)5-6-16(15)18-7-10-20-11-8-18/h4-6,12-13H,1,7-11H2,2-3H3.
What are the key properties of prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate?
prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate has a molecular weight of 289.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-morpholin-4-yl-5-propan-2-ylbenzoate is sourced from PubChem (CID 143243225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).