(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one

C17H19N3O2 — CID 110105388

IUPAC(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
SMILESCc1cnc(C2COCCN2C(=O)/C=C/c2ccccc2)[nH]1
InChIInChI=1S/C17H19N3O2/c1-13-11-18-17(19-13)15-12-22-10-9-20(15)16(21)8-7-14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3,(H,18,19)/b8-7+
InChIKeyAVBKZKHHOIOEFP-BQYQJAHWSA-N
MW297.36 g/mol
LogP2.33
Rot. Bonds3

About (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one

(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one (PubChem CID 110105388) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
PubChem CID110105388
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
SMILESCc1cnc(C2COCCN2C(=O)/C=C/c2ccccc2)[nH]1
InChIInChI=1S/C17H19N3O2/c1-13-11-18-17(19-13)15-12-22-10-9-20(15)16(21)8-7-14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3,(H,18,19)/b8-7+
InChIKeyAVBKZKHHOIOEFP-BQYQJAHWSA-N
XLogP2.33
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
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)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one (CID 110105388) is (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one is Cc1cnc(C2COCCN2C(=O)/C=C/c2ccccc2)[nH]1.
What is the InChIKey of (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one?
The InChIKey is AVBKZKHHOIOEFP-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-11-18-17(19-13)15-12-22-10-9-20(15)16(21)8-7-14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3,(H,18,19)/b8-7+.
What are the key properties of (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one?
(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one has a molecular weight of 297.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 110105388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).