1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one

C21H30N2O2 — CID 118744921

IUPAC1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)CN1C(=O)C2(CCN(CC3CCOCC3)C2)c2ccccc21
InChIInChI=1S/C21H30N2O2/c1-16(2)13-23-19-6-4-3-5-18(19)21(20(23)24)9-10-22(15-21)14-17-7-11-25-12-8-17/h3-6,16-17H,7-15H2,1-2H3
InChIKeyCHBGVZQGDOGDNQ-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.06
Rot. Bonds4

About 1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one

1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 118744921) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID118744921
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)CN1C(=O)C2(CCN(CC3CCOCC3)C2)c2ccccc21
InChIInChI=1S/C21H30N2O2/c1-16(2)13-23-19-6-4-3-5-18(19)21(20(23)24)9-10-22(15-21)14-17-7-11-25-12-8-17/h3-6,16-17H,7-15H2,1-2H3
InChIKeyCHBGVZQGDOGDNQ-UHFFFAOYSA-N
XLogP3.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 118744921) is 1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is CC(C)CN1C(=O)C2(CCN(CC3CCOCC3)C2)c2ccccc21.
What is the InChIKey of 1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is CHBGVZQGDOGDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16(2)13-23-19-6-4-3-5-18(19)21(20(23)24)9-10-22(15-21)14-17-7-11-25-12-8-17/h3-6,16-17H,7-15H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 342.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 118744921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).