1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one

C19H23N3OS — CID 118744065

IUPAC1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)CN1C(=O)C2(CCN(Cc3nccs3)C2)c2ccccc21
InChIInChI=1S/C19H23N3OS/c1-14(2)11-22-16-6-4-3-5-15(16)19(18(22)23)7-9-21(13-19)12-17-20-8-10-24-17/h3-6,8,10,14H,7,9,11-13H2,1-2H3
InChIKeyIRGUNIUZLUFOII-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.29
Rot. Bonds4

About 1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one

1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 118744065) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID118744065
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)CN1C(=O)C2(CCN(Cc3nccs3)C2)c2ccccc21
InChIInChI=1S/C19H23N3OS/c1-14(2)11-22-16-6-4-3-5-15(16)19(18(22)23)7-9-21(13-19)12-17-20-8-10-24-17/h3-6,8,10,14H,7,9,11-13H2,1-2H3
InChIKeyIRGUNIUZLUFOII-UHFFFAOYSA-N
XLogP3.29
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 118744065) is 1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is CC(C)CN1C(=O)C2(CCN(Cc3nccs3)C2)c2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is IRGUNIUZLUFOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14(2)11-22-16-6-4-3-5-15(16)19(18(22)23)7-9-21(13-19)12-17-20-8-10-24-17/h3-6,8,10,14H,7,9,11-13H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 341.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 118744065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).