2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C19H19N3O4 — CID 70782211

IUPAC2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1occc1C(=O)N1CCC2(C1)C(=O)N(CC(N)=O)c1ccccc12
InChIInChI=1S/C19H19N3O4/c1-12-13(6-9-26-12)17(24)21-8-7-19(11-21)14-4-2-3-5-15(14)22(18(19)25)10-16(20)23/h2-6,9H,7-8,10-11H2,1H3,(H2,20,23)
InChIKeySLLMBPZYUBOQDO-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.20
Rot. Bonds3

About 2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 70782211) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID70782211
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1occc1C(=O)N1CCC2(C1)C(=O)N(CC(N)=O)c1ccccc12
InChIInChI=1S/C19H19N3O4/c1-12-13(6-9-26-12)17(24)21-8-7-19(11-21)14-4-2-3-5-15(14)22(18(19)25)10-16(20)23/h2-6,9H,7-8,10-11H2,1H3,(H2,20,23)
InChIKeySLLMBPZYUBOQDO-UHFFFAOYSA-N
XLogP1.20
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 70782211) is 2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is Cc1occc1C(=O)N1CCC2(C1)C(=O)N(CC(N)=O)c1ccccc12.
What is the InChIKey of 2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is SLLMBPZYUBOQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-13(6-9-26-12)17(24)21-8-7-19(11-21)14-4-2-3-5-15(14)22(18(19)25)10-16(20)23/h2-6,9H,7-8,10-11H2,1H3,(H2,20,23).
What are the key properties of 2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 70782211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).