(3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

C21H18ClNO3 — CID 66662227

IUPAC(3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)c2ccccc21
InChIInChI=1S/C21H18ClNO3/c22-15-7-5-14(6-8-15)20(9-10-20)19(25)23-12-11-21(13-23)17-4-2-1-3-16(17)18(24)26-21/h1-8H,9-13H2/t21-/m0/s1
InChIKeyLLGVAOSWKFVQJH-NRFANRHFSA-N
MW367.83 g/mol
LogP3.67
Rot. Bonds2

About (3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one

(3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 66662227) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is (3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name(3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID66662227
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name(3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1O[C@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)c2ccccc21
InChIInChI=1S/C21H18ClNO3/c22-15-7-5-14(6-8-15)20(9-10-20)19(25)23-12-11-21(13-23)17-4-2-1-3-16(17)18(24)26-21/h1-8H,9-13H2/t21-/m0/s1
InChIKeyLLGVAOSWKFVQJH-NRFANRHFSA-N
XLogP3.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of (3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 66662227) is (3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for (3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for (3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is O=C1O[C@]2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)c2ccccc21.
What is the InChIKey of (3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is LLGVAOSWKFVQJH-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18ClNO3/c22-15-7-5-14(6-8-15)20(9-10-20)19(25)23-12-11-21(13-23)17-4-2-1-3-16(17)18(24)26-21/h1-8H,9-13H2/t21-/m0/s1.
What are the key properties of (3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
(3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one has a molecular weight of 367.83 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 66662227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).