(2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one

C19H20N2O2 — CID 71452126

IUPAC(2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2[C@@]12CN[C@@H](COCc1ccccc1)C2
InChIInChI=1S/C19H20N2O2/c22-18-19(16-8-4-5-9-17(16)21-18)10-15(20-13-19)12-23-11-14-6-2-1-3-7-14/h1-9,15,20H,10-13H2,(H,21,22)/t15-,19-/m1/s1
InChIKeyLTDPBQIVQAJXFB-DNVCBOLYSA-N
MW308.38 g/mol
LogP2.46
Rot. Bonds4

About (2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one

(2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one (PubChem CID 71452126) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one
PubChem CID71452126
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2[C@@]12CN[C@@H](COCc1ccccc1)C2
InChIInChI=1S/C19H20N2O2/c22-18-19(16-8-4-5-9-17(16)21-18)10-15(20-13-19)12-23-11-14-6-2-1-3-7-14/h1-9,15,20H,10-13H2,(H,21,22)/t15-,19-/m1/s1
InChIKeyLTDPBQIVQAJXFB-DNVCBOLYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one (CID 71452126) is (2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one is O=C1Nc2ccccc2[C@@]12CN[C@@H](COCc1ccccc1)C2.
What is the InChIKey of (2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one?
The InChIKey is LTDPBQIVQAJXFB-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18-19(16-8-4-5-9-17(16)21-18)10-15(20-13-19)12-23-11-14-6-2-1-3-7-14/h1-9,15,20H,10-13H2,(H,21,22)/t15-,19-/m1/s1.
What are the key properties of (2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one?
(2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-2'-(phenylmethoxymethyl)spiro[1H-indole-3,4'-pyrrolidine]-2-one is sourced from PubChem (CID 71452126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).