cyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone

C25H27NO2 — CID 10133949

IUPACcyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone
SMILESC[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C(=O)C4CC4)c3)ccc2o1
InChIInChI=1S/C25H27NO2/c1-17-4-3-12-26(17)13-11-23-16-22-15-20(9-10-24(22)28-23)19-5-2-6-21(14-19)25(27)18-7-8-18/h2,5-6,9-10,14-18H,3-4,7-8,11-13H2,1H3/t17-/m1/s1
InChIKeyBQTMIBGMCRVQPU-QGZVFWFLSA-N
MW373.50 g/mol
LogP5.72
Rot. Bonds6

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

cyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone (PubChem CID 10133949) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is cyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone
PubChem CID10133949
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Namecyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone
SMILESC[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C(=O)C4CC4)c3)ccc2o1
InChIInChI=1S/C25H27NO2/c1-17-4-3-12-26(17)13-11-23-16-22-15-20(9-10-24(22)28-23)19-5-2-6-21(14-19)25(27)18-7-8-18/h2,5-6,9-10,14-18H,3-4,7-8,11-13H2,1H3/t17-/m1/s1
InChIKeyBQTMIBGMCRVQPU-QGZVFWFLSA-N
XLogP5.72
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
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
(2-fluorophenyl)(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 10154945

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone?
The IUPAC name of cyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone (CID 10133949) is cyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone?
The canonical SMILES for cyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone is C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C(=O)C4CC4)c3)ccc2o1.
What is the InChIKey of cyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone?
The InChIKey is BQTMIBGMCRVQPU-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27NO2/c1-17-4-3-12-26(17)13-11-23-16-22-15-20(9-10-24(22)28-23)19-5-2-6-21(14-19)25(27)18-7-8-18/h2,5-6,9-10,14-18H,3-4,7-8,11-13H2,1H3/t17-/m1/s1.
What are the key properties of cyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone?
cyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone has a molecular weight of 373.50 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 cyclopropyl-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone is sourced from PubChem (CID 10133949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).