(3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one

C18H15NO2 — CID 161164268

IUPAC(3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one
SMILESC=C1CC[C@H](c2coc3ccc4ccccc4c23)C(=O)N1
InChIInChI=1S/C18H15NO2/c1-11-6-8-14(18(20)19-11)15-10-21-16-9-7-12-4-2-3-5-13(12)17(15)16/h2-5,7,9-10,14H,1,6,8H2,(H,19,20)/t14-/m1/s1
InChIKeyUXNIJYGOFXLTMW-CQSZACIVSA-N
MW277.32 g/mol
LogP4.09
Rot. Bonds1

About (3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one

(3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one (PubChem CID 161164268) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one
PubChem CID161164268
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one
SMILESC=C1CC[C@H](c2coc3ccc4ccccc4c23)C(=O)N1
InChIInChI=1S/C18H15NO2/c1-11-6-8-14(18(20)19-11)15-10-21-16-9-7-12-4-2-3-5-13(12)17(15)16/h2-5,7,9-10,14H,1,6,8H2,(H,19,20)/t14-/m1/s1
InChIKeyUXNIJYGOFXLTMW-CQSZACIVSA-N
XLogP4.09
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one?
The IUPAC name of (3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one (CID 161164268) is (3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one.
What is the SMILES notation for (3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one?
The canonical SMILES for (3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one is C=C1CC[C@H](c2coc3ccc4ccccc4c23)C(=O)N1.
What is the InChIKey of (3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one?
The InChIKey is UXNIJYGOFXLTMW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H15NO2/c1-11-6-8-14(18(20)19-11)15-10-21-16-9-7-12-4-2-3-5-13(12)17(15)16/h2-5,7,9-10,14H,1,6,8H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one?
(3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one has a molecular weight of 277.32 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one is sourced from PubChem (CID 161164268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).