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

C21H18ClNO3 — CID 66661390

IUPAC1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1OC2(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
InChIKeyLLGVAOSWKFVQJH-UHFFFAOYSA-N
MW367.83 g/mol
LogP3.67
Rot. Bonds2

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

1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (PubChem CID 66661390) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is 1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.

Molecular Properties

Compound Name1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
PubChem CID66661390
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
SMILESO=C1OC2(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
InChIKeyLLGVAOSWKFVQJH-UHFFFAOYSA-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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Related Compounds

(1R)-1'-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-one
CID 66662227
1'-[3-(4-chloro-3-fluorophenyl)propanoyl]-3H-spiro[2-benzofuran-1,3'-piperidine]-3-one
CID 73168210
3-(Azepan-1-ylmethyl)-3-(4-chlorophenyl)-2-benzofuran-1-one
CID 178295742
3-(4-Chlorophenyl)-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one
CID 178296396
3-(4-Chlorophenyl)-3-[(3-methylpiperidin-1-yl)methyl]-2-benzofuran-1-one
CID 178301071
3-(4-Chlorophenyl)-3-(diethylaminomethyl)-2-benzofuran-1-one
CID 178302540
3-[(4-Acetylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-2-benzofuran-1-one
CID 178311976
Ethyl 1-[[1-(4-chlorophenyl)-3-oxo-2-benzofuran-1-yl]methyl]piperidine-4-carboxylate
CID 178312152
3-Phenyl-3-(pyrrolidin-1-ylmethyl)-2-benzofuran-1-one
CID 178314653
1'-[1-(3-Chloro-4-fluorophenyl)sulfanylcyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 11509945
1'-[1-(4-Chlorophenyl)-3-fluorocyclobutanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66661618
(1R)-1'-{[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbonyl}-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-one
CID 66661700

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The IUPAC name of 1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one (CID 66661390) is 1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one.
What is the SMILES notation for 1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The canonical SMILES for 1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is O=C1OC2(CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)C2)c2ccccc21.
What is the InChIKey of 1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
The InChIKey is LLGVAOSWKFVQJH-UHFFFAOYSA-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.
What are the key properties of 1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one?
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 1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one is sourced from PubChem (CID 66661390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).