(E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one

C17H23NO2 — CID 671205

IUPAC(E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESCC(C)Cc1ccc(/C=C/C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H23NO2/c1-14(2)13-16-5-3-15(4-6-16)7-8-17(19)18-9-11-20-12-10-18/h3-8,14H,9-13H2,1-2H3/b8-7+
InChIKeyWPNLNHUQOBDQTB-BQYQJAHWSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds4

About (E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one

(E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 671205) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one
PubChem CID671205
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESCC(C)Cc1ccc(/C=C/C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H23NO2/c1-14(2)13-16-5-3-15(4-6-16)7-8-17(19)18-9-11-20-12-10-18/h3-8,14H,9-13H2,1-2H3/b8-7+
InChIKeyWPNLNHUQOBDQTB-BQYQJAHWSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
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 (E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one (CID 671205) is (E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one is CC(C)Cc1ccc(/C=C/C(=O)N2CCOCC2)cc1.
What is the InChIKey of (E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is WPNLNHUQOBDQTB-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14(2)13-16-5-3-15(4-6-16)7-8-17(19)18-9-11-20-12-10-18/h3-8,14H,9-13H2,1-2H3/b8-7+.
What are the key properties of (E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 273.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-methylpropyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 671205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).