(2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C19H18N2O3 — CID 52905307

IUPAC(2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2[C@@]12CCN[C@@H]2c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N2O3/c22-18-19(13-3-1-2-4-14(13)21-18)7-8-20-17(19)12-5-6-15-16(11-12)24-10-9-23-15/h1-6,11,17,20H,7-10H2,(H,21,22)/t17-,19-/m1/s1
InChIKeyAAOCWUAGGVVIAJ-IEBWSBKVSA-N
MW322.36 g/mol
LogP2.38
Rot. Bonds1

About (2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 52905307) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID52905307
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2[C@@]12CCN[C@@H]2c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N2O3/c22-18-19(13-3-1-2-4-14(13)21-18)7-8-20-17(19)12-5-6-15-16(11-12)24-10-9-23-15/h1-6,11,17,20H,7-10H2,(H,21,22)/t17-,19-/m1/s1
InChIKeyAAOCWUAGGVVIAJ-IEBWSBKVSA-N
XLogP2.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 52905307) is (2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2ccccc2[C@@]12CCN[C@@H]2c1ccc2c(c1)OCCO2.
What is the InChIKey of (2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is AAOCWUAGGVVIAJ-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18-19(13-3-1-2-4-14(13)21-18)7-8-20-17(19)12-5-6-15-16(11-12)24-10-9-23-15/h1-6,11,17,20H,7-10H2,(H,21,22)/t17-,19-/m1/s1.
What are the key properties of (2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 322.36 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-2'-(2,3-dihydro-1,4-benzodioxin-6-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 52905307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).