1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one

C17H15NO2 — CID 1481654

IUPAC1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C17H15NO2/c1-18(2)10-9-15(19)17-11-14-13-6-4-3-5-12(13)7-8-16(14)20-17/h3-11H,1-2H3
InChIKeyCZUAQGFARJIBET-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.84
Rot. Bonds3

About 1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one

1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one (PubChem CID 1481654) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one
PubChem CID1481654
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C17H15NO2/c1-18(2)10-9-15(19)17-11-14-13-6-4-3-5-12(13)7-8-16(14)20-17/h3-11H,1-2H3
InChIKeyCZUAQGFARJIBET-UHFFFAOYSA-N
XLogP3.84
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.84
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 1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of 1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one (CID 1481654) is 1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for 1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for 1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one is CN(C)C=CC(=O)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of 1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is CZUAQGFARJIBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18(2)10-9-15(19)17-11-14-13-6-4-3-5-12(13)7-8-16(14)20-17/h3-11H,1-2H3.
What are the key properties of 1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one?
1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one has a molecular weight of 265.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 1481654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).