1-ethylspiro[indole-3,3'-pyrrolidine]-2-one

C13H16N2O — CID 121199787

IUPAC1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCCN1C(=O)C2(CCNC2)c2ccccc21
InChIInChI=1S/C13H16N2O/c1-2-15-11-6-4-3-5-10(11)13(12(15)16)7-8-14-9-13/h3-6,14H,2,7-9H2,1H3
InChIKeyUBPMJCNBTDBKDC-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.28
Rot. Bonds1

About 1-ethylspiro[indole-3,3'-pyrrolidine]-2-one

1-ethylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 121199787) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-ethylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID121199787
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCCN1C(=O)C2(CCNC2)c2ccccc21
InChIInChI=1S/C13H16N2O/c1-2-15-11-6-4-3-5-10(11)13(12(15)16)7-8-14-9-13/h3-6,14H,2,7-9H2,1H3
InChIKeyUBPMJCNBTDBKDC-UHFFFAOYSA-N
XLogP1.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-ethylspiro[indole-3,3'-pyrrolidine]-2-one (CID 121199787) is 1-ethylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-ethylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-ethylspiro[indole-3,3'-pyrrolidine]-2-one is CCN1C(=O)C2(CCNC2)c2ccccc21.
What is the InChIKey of 1-ethylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is UBPMJCNBTDBKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-15-11-6-4-3-5-10(11)13(12(15)16)7-8-14-9-13/h3-6,14H,2,7-9H2,1H3.
What are the key properties of 1-ethylspiro[indole-3,3'-pyrrolidine]-2-one?
1-ethylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 121199787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).