4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one

C29H27NO4 — CID 74224630

IUPAC4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCC3CN(C(=O)/C(=C/c4ccccc4)c4ccccc4)CCO3)cccc21
InChIInChI=1S/C29H27NO4/c31-27-15-14-25-24(27)12-7-13-28(25)34-20-23-19-30(16-17-33-23)29(32)26(22-10-5-2-6-11-22)18-21-8-3-1-4-9-21/h1-13,18,23H,14-17,19-20H2/b26-18+
InChIKeyHHRBZDQUZHXQCD-NLRVBDNBSA-N
MW453.54 g/mol
LogP4.66
Rot. Bonds6

About 4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one

4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one (PubChem CID 74224630) has the molecular formula C29H27NO4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
PubChem CID74224630
Molecular FormulaC29H27NO4
Molecular Weight453.54 g/mol
Exact Mass453.19
IUPAC Name4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCC3CN(C(=O)/C(=C/c4ccccc4)c4ccccc4)CCO3)cccc21
InChIInChI=1S/C29H27NO4/c31-27-15-14-25-24(27)12-7-13-28(25)34-20-23-19-30(16-17-33-23)29(32)26(22-10-5-2-6-11-22)18-21-8-3-1-4-9-21/h1-13,18,23H,14-17,19-20H2/b26-18+
InChIKeyHHRBZDQUZHXQCD-NLRVBDNBSA-N
XLogP4.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one with MolForge

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Related Compounds

4-[[4-[3-(2-phenylethenylsulfanyl)propanoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 3868696
4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 3397743
4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 3669900
4-[[4-(2-fluoropyridine-3-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 5103890
4-[[4-(5-butylpyridine-2-carbonyl)morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one
CID 74224455
5-(oxolan-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65454257
5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 22854106
5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65456337
oxirane;5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 86748747
CID 174024033
CID 174024033
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one (CID 74224630) is 4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one is O=C1CCc2c(OCC3CN(C(=O)/C(=C/c4ccccc4)c4ccccc4)CCO3)cccc21.
What is the InChIKey of 4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
The InChIKey is HHRBZDQUZHXQCD-NLRVBDNBSA-N. The full InChI is InChI=1S/C29H27NO4/c31-27-15-14-25-24(27)12-7-13-28(25)34-20-23-19-30(16-17-33-23)29(32)26(22-10-5-2-6-11-22)18-21-8-3-1-4-9-21/h1-13,18,23H,14-17,19-20H2/b26-18+.
What are the key properties of 4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one?
4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one has a molecular weight of 453.54 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(E)-2,3-diphenylprop-2-enoyl]morpholin-2-yl]methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 74224630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).