cyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone

C25H27NO2 — CID 10109898

IUPACcyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone
SMILESC[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2o1
InChIInChI=1S/C25H27NO2/c1-17-3-2-13-26(17)14-12-23-16-22-15-21(10-11-24(22)28-23)18-4-6-19(7-5-18)25(27)20-8-9-20/h4-7,10-11,15-17,20H,2-3,8-9,12-14H2,1H3/t17-/m1/s1
InChIKeyPOAWKGPFNHDXRG-QGZVFWFLSA-N
MW373.50 g/mol
LogP5.72
Rot. Bonds6

About cyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone

cyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone (PubChem CID 10109898) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is cyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone
PubChem CID10109898
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Namecyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone
SMILESC[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2o1
InChIInChI=1S/C25H27NO2/c1-17-3-2-13-26(17)14-12-23-16-22-15-21(10-11-24(22)28-23)18-4-6-19(7-5-18)25(27)20-8-9-20/h4-7,10-11,15-17,20H,2-3,8-9,12-14H2,1H3/t17-/m1/s1
InChIKeyPOAWKGPFNHDXRG-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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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone (CID 10109898) is cyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone is C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2o1.
What is the InChIKey of cyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone?
The InChIKey is POAWKGPFNHDXRG-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27NO2/c1-17-3-2-13-26(17)14-12-23-16-22-15-21(10-11-24(22)28-23)18-4-6-19(7-5-18)25(27)20-8-9-20/h4-7,10-11,15-17,20H,2-3,8-9,12-14H2,1H3/t17-/m1/s1.
What are the key properties of cyclopropyl-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone?
cyclopropyl-[4-[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-[4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanone is sourced from PubChem (CID 10109898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).