5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one

C15H17NO2 — CID 86730534

IUPAC5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(/C=C/C3CCNCC3)ccc21
InChIInChI=1S/C15H17NO2/c17-15-14-4-3-12(9-13(14)10-18-15)2-1-11-5-7-16-8-6-11/h1-4,9,11,16H,5-8,10H2/b2-1+
InChIKeyKMTCWESUVZVQIF-OWOJBTEDSA-N
MW243.31 g/mol
LogP2.37
Rot. Bonds2

About 5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one

5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one (PubChem CID 86730534) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one
PubChem CID86730534
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(/C=C/C3CCNCC3)ccc21
InChIInChI=1S/C15H17NO2/c17-15-14-4-3-12(9-13(14)10-18-15)2-1-11-5-7-16-8-6-11/h1-4,9,11,16H,5-8,10H2/b2-1+
InChIKeyKMTCWESUVZVQIF-OWOJBTEDSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one (CID 86730534) is 5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one is O=C1OCc2cc(/C=C/C3CCNCC3)ccc21.
What is the InChIKey of 5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one?
The InChIKey is KMTCWESUVZVQIF-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15-14-4-3-12(9-13(14)10-18-15)2-1-11-5-7-16-8-6-11/h1-4,9,11,16H,5-8,10H2/b2-1+.
What are the key properties of 5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one?
5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one has a molecular weight of 243.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-piperidin-4-ylethenyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 86730534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).