(3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one

C17H17NO3 — CID 71541115

IUPAC(3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one
SMILESCOc1ccc2oc([C@H](C)CC(=O)n3cccc3)cc2c1
InChIInChI=1S/C17H17NO3/c1-12(9-17(19)18-7-3-4-8-18)16-11-13-10-14(20-2)5-6-15(13)21-16/h3-8,10-12H,9H2,1-2H3/t12-/m1/s1
InChIKeyBSZGFKFMVWRPRA-GFCCVEGCSA-N
MW283.33 g/mol
LogP4.08
Rot. Bonds4

About (3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one

(3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one (PubChem CID 71541115) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one.

Molecular Properties

Compound Name(3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one
PubChem CID71541115
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one
SMILESCOc1ccc2oc([C@H](C)CC(=O)n3cccc3)cc2c1
InChIInChI=1S/C17H17NO3/c1-12(9-17(19)18-7-3-4-8-18)16-11-13-10-14(20-2)5-6-15(13)21-16/h3-8,10-12H,9H2,1-2H3/t12-/m1/s1
InChIKeyBSZGFKFMVWRPRA-GFCCVEGCSA-N
XLogP4.08
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one?
The IUPAC name of (3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one (CID 71541115) is (3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one.
What is the SMILES notation for (3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one?
The canonical SMILES for (3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one is COc1ccc2oc([C@H](C)CC(=O)n3cccc3)cc2c1.
What is the InChIKey of (3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one?
The InChIKey is BSZGFKFMVWRPRA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(9-17(19)18-7-3-4-8-18)16-11-13-10-14(20-2)5-6-15(13)21-16/h3-8,10-12H,9H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one?
(3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one has a molecular weight of 283.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-methoxy-1-benzofuran-2-yl)-1-pyrrol-1-ylbutan-1-one is sourced from PubChem (CID 71541115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).