(2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C18H16N2O3 — CID 52905278

IUPAC(2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2[C@]12CCN[C@@H]2c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O3/c21-17-18(12-3-1-2-4-13(12)20-17)7-8-19-16(18)11-5-6-14-15(9-11)23-10-22-14/h1-6,9,16,19H,7-8,10H2,(H,20,21)/t16-,18+/m1/s1
InChIKeyHIVLLLMSCJPNTB-AEFFLSMTSA-N
MW308.34 g/mol
LogP2.34
Rot. Bonds1

About (2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 52905278) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID52905278
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2[C@]12CCN[C@@H]2c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O3/c21-17-18(12-3-1-2-4-13(12)20-17)7-8-19-16(18)11-5-6-14-15(9-11)23-10-22-14/h1-6,9,16,19H,7-8,10H2,(H,20,21)/t16-,18+/m1/s1
InChIKeyHIVLLLMSCJPNTB-AEFFLSMTSA-N
XLogP2.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2'R,3S)-2'-(3,4-dihydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905152
(2'S,3S)-2'-(3-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 51971151
2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52994313
(2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905363
(2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905044
(2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52899885
2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 52994353
(2'S,3R)-2'-(2,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905379
(2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 131857394
(2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52898950
2-[4-[(2'R,3R)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-2'-yl]phenoxy]pyridine-3-carbonitrile
CID 52900789
(2R)-2,3-bis(1,3-benzodioxol-5-yl)-1,2-dihydroquinazolin-4-one
CID 26435725

Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 52905278) is (2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2ccccc2[C@]12CCN[C@@H]2c1ccc2c(c1)OCO2.
What is the InChIKey of (2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HIVLLLMSCJPNTB-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17-18(12-3-1-2-4-13(12)20-17)7-8-19-16(18)11-5-6-14-15(9-11)23-10-22-14/h1-6,9,16,19H,7-8,10H2,(H,20,21)/t16-,18+/m1/s1.
What are the key properties of (2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 308.34 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 52905278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).