methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate

C15H16FNO4 — CID 78926628

IUPACmethyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)/C=C/c2ccccc2F)CCO1
InChIInChI=1S/C15H16FNO4/c1-20-15(19)13-10-17(8-9-21-13)14(18)7-6-11-4-2-3-5-12(11)16/h2-7,13H,8-10H2,1H3/b7-6+
InChIKeySDTHOELBQVGFCO-VOTSOKGWSA-N
MW293.29 g/mol
LogP1.24
Rot. Bonds3

About methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate

methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate (PubChem CID 78926628) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate
PubChem CID78926628
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Namemethyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)/C=C/c2ccccc2F)CCO1
InChIInChI=1S/C15H16FNO4/c1-20-15(19)13-10-17(8-9-21-13)14(18)7-6-11-4-2-3-5-12(11)16/h2-7,13H,8-10H2,1H3/b7-6+
InChIKeySDTHOELBQVGFCO-VOTSOKGWSA-N
XLogP1.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 76918600
(E)-3-(2-fluorophenyl)-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
CID 151039333
4-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]morpholine-2-carboxamide
CID 78905990
1-(3-aminopyrrolidin-1-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 126771868
(E)-1-(3-aminoazetidin-1-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 121200505
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
(E)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 81208224
4-[3-(2-butan-2-yloxyphenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 126794452
methyl 4-[(2-chlorophenyl)carbamoyl]morpholine-2-carboxylate
CID 78927127
methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate (CID 78926628) is methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)/C=C/c2ccccc2F)CCO1.
What is the InChIKey of methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate?
The InChIKey is SDTHOELBQVGFCO-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-20-15(19)13-10-17(8-9-21-13)14(18)7-6-11-4-2-3-5-12(11)16/h2-7,13H,8-10H2,1H3/b7-6+.
What are the key properties of methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate?
methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate has a molecular weight of 293.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylate is sourced from PubChem (CID 78926628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).