1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one

C20H21FN2O3 — CID 155914766

IUPAC1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1cc(F)c(CN2C(=O)C3(CCNC3)c3ccccc32)cc1OC
InChIInChI=1S/C20H21FN2O3/c1-25-17-9-13(15(21)10-18(17)26-2)11-23-16-6-4-3-5-14(16)20(19(23)24)7-8-22-12-20/h3-6,9-10,22H,7-8,11-12H2,1-2H3
InChIKeyVCTKNHRQXZBWOO-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.62
Rot. Bonds4

About 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one

1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 155914766) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID155914766
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1cc(F)c(CN2C(=O)C3(CCNC3)c3ccccc32)cc1OC
InChIInChI=1S/C20H21FN2O3/c1-25-17-9-13(15(21)10-18(17)26-2)11-23-16-6-4-3-5-14(16)20(19(23)24)7-8-22-12-20/h3-6,9-10,22H,7-8,11-12H2,1-2H3
InChIKeyVCTKNHRQXZBWOO-UHFFFAOYSA-N
XLogP2.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 155914766) is 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one is COc1cc(F)c(CN2C(=O)C3(CCNC3)c3ccccc32)cc1OC.
What is the InChIKey of 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is VCTKNHRQXZBWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-25-17-9-13(15(21)10-18(17)26-2)11-23-16-6-4-3-5-14(16)20(19(23)24)7-8-22-12-20/h3-6,9-10,22H,7-8,11-12H2,1-2H3.
What are the key properties of 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 356.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 155914766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).