1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C20H19ClN2O3 — CID 11624899

IUPAC1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCC(C)(C(=O)N1CCC2(C1)OC(=O)c1cnccc12)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O3/c1-19(2,13-3-5-14(21)6-4-13)18(25)23-10-8-20(12-23)16-7-9-22-11-15(16)17(24)26-20/h3-7,9,11H,8,10,12H2,1-2H3
InChIKeyQPVPSYUMCRZFBK-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.31
Rot. Bonds2

About 1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 11624899) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID11624899
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCC(C)(C(=O)N1CCC2(C1)OC(=O)c1cnccc12)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O3/c1-19(2,13-3-5-14(21)6-4-13)18(25)23-10-8-20(12-23)16-7-9-22-11-15(16)17(24)26-20/h3-7,9,11H,8,10,12H2,1-2H3
InChIKeyQPVPSYUMCRZFBK-UHFFFAOYSA-N
XLogP3.31
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 11624899) is 1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is CC(C)(C(=O)N1CCC2(C1)OC(=O)c1cnccc12)c1ccc(Cl)cc1.
What is the InChIKey of 1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is QPVPSYUMCRZFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-19(2,13-3-5-14(21)6-4-13)18(25)23-10-8-20(12-23)16-7-9-22-11-15(16)17(24)26-20/h3-7,9,11H,8,10,12H2,1-2H3.
What are the key properties of 1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 370.84 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-chlorophenyl)-2-methylpropanoyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 11624899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).