1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one

C24H27NO2 — CID 11394346

IUPAC1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1
InChIInChI=1S/C24H27NO2/c1-3-23(26)20-8-4-7-18(14-20)19-9-10-24-21(15-19)16-22(27-24)11-13-25-12-5-6-17(25)2/h4,7-10,14-17H,3,5-6,11-13H2,1-2H3/t17-/m1/s1
InChIKeyCELAAZUTSNRGKM-QGZVFWFLSA-N
MW361.49 g/mol
LogP5.72
Rot. Bonds6

About 1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one

1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one (PubChem CID 11394346) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one
PubChem CID11394346
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1
InChIInChI=1S/C24H27NO2/c1-3-23(26)20-8-4-7-18(14-20)19-9-10-24-21(15-19)16-22(27-24)11-13-25-12-5-6-17(25)2/h4,7-10,14-17H,3,5-6,11-13H2,1-2H3/t17-/m1/s1
InChIKeyCELAAZUTSNRGKM-QGZVFWFLSA-N
XLogP5.72
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)-
CID 9818903
(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)(phenyl)methanone
CID 9858858
(R)-4-(2-(2-(2-Methylpyrrolidin-1-yl)-ethyl)benzofuran-5-yl)benzonitrile
CID 9883980
1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]ethanone
CID 9884652
A-431404
CID 9906447
(4-Fluoro-3-methyl-phenyl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-methanone
CID 9925337
(3-fluorophenyl)(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 9946461
(3,5-difluorophenyl)(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 9969328
(4-methoxyphenyl)(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 10109322
cyclopropyl[4-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]methanone
CID 10109898
{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-p-tolyl-methanone
CID 10132440
cyclopropyl[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]methanone
CID 10133949

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one?
The IUPAC name of 1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one (CID 11394346) is 1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one is CCC(=O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1.
What is the InChIKey of 1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one?
The InChIKey is CELAAZUTSNRGKM-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27NO2/c1-3-23(26)20-8-4-7-18(14-20)19-9-10-24-21(15-19)16-22(27-24)11-13-25-12-5-6-17(25)2/h4,7-10,14-17H,3,5-6,11-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one?
1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one has a molecular weight of 361.49 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-1-one is sourced from PubChem (CID 11394346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).