(E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

C14H17NO3 — CID 886941

IUPAC(E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESCOc1ccccc1/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C14H17NO3/c1-17-13-5-3-2-4-12(13)6-7-14(16)15-8-10-18-11-9-15/h2-7H,8-11H2,1H3/b7-6+
InChIKeyQMKDSAUOJVSCRZ-VOTSOKGWSA-N
MW247.29 g/mol
LogP1.57
Rot. Bonds3

About (E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one

(E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 886941) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID886941
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
SMILESCOc1ccccc1/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C14H17NO3/c1-17-13-5-3-2-4-12(13)6-7-14(16)15-8-10-18-11-9-15/h2-7H,8-11H2,1H3/b7-6+
InChIKeyQMKDSAUOJVSCRZ-VOTSOKGWSA-N
XLogP1.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one (CID 886941) is (E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is COc1ccccc1/C=C/C(=O)N1CCOCC1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is QMKDSAUOJVSCRZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-13-5-3-2-4-12(13)6-7-14(16)15-8-10-18-11-9-15/h2-7H,8-11H2,1H3/b7-6+.
What are the key properties of (E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 247.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 886941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).