1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one

C15H20N2O — CID 6425748

IUPAC1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one
SMILESCCN1c2ccccc2C(C)(C)C12CCC(=O)N2
InChIInChI=1S/C15H20N2O/c1-4-17-12-8-6-5-7-11(12)14(2,3)15(17)10-9-13(18)16-15/h5-8H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyLUPVTXAILOSQAM-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.41
Rot. Bonds1

About 1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one

1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one (PubChem CID 6425748) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one
PubChem CID6425748
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one
SMILESCCN1c2ccccc2C(C)(C)C12CCC(=O)N2
InChIInChI=1S/C15H20N2O/c1-4-17-12-8-6-5-7-11(12)14(2,3)15(17)10-9-13(18)16-15/h5-8H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyLUPVTXAILOSQAM-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one?
The IUPAC name of 1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one (CID 6425748) is 1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one.
What is the SMILES notation for 1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one?
The canonical SMILES for 1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one is CCN1c2ccccc2C(C)(C)C12CCC(=O)N2.
What is the InChIKey of 1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one?
The InChIKey is LUPVTXAILOSQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-17-12-8-6-5-7-11(12)14(2,3)15(17)10-9-13(18)16-15/h5-8H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of 1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one?
1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one has a molecular weight of 244.34 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-dimethylspiro[indole-2,5'-pyrrolidine]-2'-one is sourced from PubChem (CID 6425748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).