1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C21H20N2O2 — CID 136533554

IUPAC1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESC#CCOc1ccccc1CN1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H20N2O2/c1-2-13-25-19-10-6-3-7-16(19)14-23-12-11-21(15-23)17-8-4-5-9-18(17)22-20(21)24/h1,3-10H,11-15H2,(H,22,24)
InChIKeyJDYFVZBNYFQRPR-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.79
Rot. Bonds4

About 1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 136533554) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID136533554
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESC#CCOc1ccccc1CN1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H20N2O2/c1-2-13-25-19-10-6-3-7-16(19)14-23-12-11-21(15-23)17-8-4-5-9-18(17)22-20(21)24/h1,3-10H,11-15H2,(H,22,24)
InChIKeyJDYFVZBNYFQRPR-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 136533554) is 1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is C#CCOc1ccccc1CN1CCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is JDYFVZBNYFQRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-13-25-19-10-6-3-7-16(19)14-23-12-11-21(15-23)17-8-4-5-9-18(17)22-20(21)24/h1,3-10H,11-15H2,(H,22,24).
What are the key properties of 1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 332.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-prop-2-ynoxyphenyl)methyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 136533554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).