prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate

C16H19NO4 — CID 89318206

IUPACprop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate
SMILESC=CCOC(=O)C1(C)CN(C(=O)c2ccccc2)CCO1
InChIInChI=1S/C16H19NO4/c1-3-10-20-15(19)16(2)12-17(9-11-21-16)14(18)13-7-5-4-6-8-13/h3-8H,1,9-12H2,2H3
InChIKeyPDKPMWGPZMWFBP-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.65
Rot. Bonds4

About prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate

prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate (PubChem CID 89318206) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate
PubChem CID89318206
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameprop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate
SMILESC=CCOC(=O)C1(C)CN(C(=O)c2ccccc2)CCO1
InChIInChI=1S/C16H19NO4/c1-3-10-20-15(19)16(2)12-17(9-11-21-16)14(18)13-7-5-4-6-8-13/h3-8H,1,9-12H2,2H3
InChIKeyPDKPMWGPZMWFBP-UHFFFAOYSA-N
XLogP1.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-methyl-2-prop-2-enylmorpholin-4-yl]-phenylmethanone
CID 89369712
prop-2-enyl 1,4-dibenzoyl-2-methylpiperazine-2-carboxylate
CID 89318221
prop-2-enyl 1-benzoyl-4-(4-methoxybenzoyl)-2-methylpiperazine-2-carboxylate
CID 129147432
prop-2-enyl 4-benzoyl-2-(2-cyanoethyl)-3-oxomorpholine-2-carboxylate
CID 121263056
(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide
CID 95838161
prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567747
N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide
CID 110106977
(2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide
CID 95839705
3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid
CID 124688908
(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 125009721
(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-methylmorpholine-2-carboxamide
CID 95839579
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate?
The IUPAC name of prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate (CID 89318206) is prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate.
What is the SMILES notation for prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate?
The canonical SMILES for prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate is C=CCOC(=O)C1(C)CN(C(=O)c2ccccc2)CCO1.
What is the InChIKey of prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate?
The InChIKey is PDKPMWGPZMWFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-10-20-15(19)16(2)12-17(9-11-21-16)14(18)13-7-5-4-6-8-13/h3-8H,1,9-12H2,2H3.
What are the key properties of prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate?
prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-benzoyl-2-methylmorpholine-2-carboxylate is sourced from PubChem (CID 89318206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).