6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one

C17H21NO3 — CID 141435737

IUPAC6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one
SMILESCOc1ccc2c(c1/C=C\CC1CCNCC1)OCC2=O
InChIInChI=1S/C17H21NO3/c1-20-16-6-5-13-15(19)11-21-17(13)14(16)4-2-3-12-7-9-18-10-8-12/h2,4-6,12,18H,3,7-11H2,1H3/b4-2-
InChIKeyGAKBLTHPVNPEPM-RQOWECAXSA-N
MW287.36 g/mol
LogP2.67
Rot. Bonds4

About 6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one

6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one (PubChem CID 141435737) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one
PubChem CID141435737
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one
SMILESCOc1ccc2c(c1/C=C\CC1CCNCC1)OCC2=O
InChIInChI=1S/C17H21NO3/c1-20-16-6-5-13-15(19)11-21-17(13)14(16)4-2-3-12-7-9-18-10-8-12/h2,4-6,12,18H,3,7-11H2,1H3/b4-2-
InChIKeyGAKBLTHPVNPEPM-RQOWECAXSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one?
The IUPAC name of 6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one (CID 141435737) is 6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one.
What is the SMILES notation for 6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one?
The canonical SMILES for 6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one is COc1ccc2c(c1/C=C\CC1CCNCC1)OCC2=O.
What is the InChIKey of 6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one?
The InChIKey is GAKBLTHPVNPEPM-RQOWECAXSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-16-6-5-13-15(19)11-21-17(13)14(16)4-2-3-12-7-9-18-10-8-12/h2,4-6,12,18H,3,7-11H2,1H3/b4-2-.
What are the key properties of 6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one?
6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one has a molecular weight of 287.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-[(Z)-3-piperidin-4-ylprop-1-enyl]-1-benzofuran-3-one is sourced from PubChem (CID 141435737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).