(7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone

C15H17NO3 — CID 22734270

IUPAC(7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone
SMILESCOc1ccc(C)c2cc(C(=O)C3CCCN3)oc12
InChIInChI=1S/C15H17NO3/c1-9-5-6-12(18-2)15-10(9)8-13(19-15)14(17)11-4-3-7-16-11/h5-6,8,11,16H,3-4,7H2,1-2H3
InChIKeyDAXGLTMILJBDCR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.68
Rot. Bonds3

About (7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone

(7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone (PubChem CID 22734270) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone
PubChem CID22734270
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone
SMILESCOc1ccc(C)c2cc(C(=O)C3CCCN3)oc12
InChIInChI=1S/C15H17NO3/c1-9-5-6-12(18-2)15-10(9)8-13(19-15)14(17)11-4-3-7-16-11/h5-6,8,11,16H,3-4,7H2,1-2H3
InChIKeyDAXGLTMILJBDCR-UHFFFAOYSA-N
XLogP2.68
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-2,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82049099
(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167
(7-methoxy-4-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 22733963
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049737
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64866160
(3,4,5-trimethoxyphenyl)methyl pyrrolidine-2-carboxylate
CID 140666594
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290165
(3-tert-butyl-4-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049736
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone (CID 22734270) is (7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone is COc1ccc(C)c2cc(C(=O)C3CCCN3)oc12.
What is the InChIKey of (7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is DAXGLTMILJBDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-5-6-12(18-2)15-10(9)8-13(19-15)14(17)11-4-3-7-16-11/h5-6,8,11,16H,3-4,7H2,1-2H3.
What are the key properties of (7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone?
(7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 259.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-4-methyl-1-benzofuran-2-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 22734270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).