(3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one

C19H26N2O2 — CID 134156681

IUPAC(3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one
SMILESCCC[C@@H]1C[C@@H](N2CCCC2)C[C@@]2(O1)C(=O)Nc1ccccc12
InChIInChI=1S/C19H26N2O2/c1-2-7-15-12-14(21-10-5-6-11-21)13-19(23-15)16-8-3-4-9-17(16)20-18(19)22/h3-4,8-9,14-15H,2,5-7,10-13H2,1H3,(H,20,22)/t14-,15-,19+/m1/s1
InChIKeySKFGYXYGUMJGPU-CLCXKQKWSA-N
MW314.43 g/mol
LogP3.28
Rot. Bonds3

About (3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one

(3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one (PubChem CID 134156681) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one.

Molecular Properties

Compound Name(3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one
PubChem CID134156681
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one
SMILESCCC[C@@H]1C[C@@H](N2CCCC2)C[C@@]2(O1)C(=O)Nc1ccccc12
InChIInChI=1S/C19H26N2O2/c1-2-7-15-12-14(21-10-5-6-11-21)13-19(23-15)16-8-3-4-9-17(16)20-18(19)22/h3-4,8-9,14-15H,2,5-7,10-13H2,1H3,(H,20,22)/t14-,15-,19+/m1/s1
InChIKeySKFGYXYGUMJGPU-CLCXKQKWSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one?
The IUPAC name of (3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one (CID 134156681) is (3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one.
What is the SMILES notation for (3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one?
The canonical SMILES for (3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one is CCC[C@@H]1C[C@@H](N2CCCC2)C[C@@]2(O1)C(=O)Nc1ccccc12.
What is the InChIKey of (3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one?
The InChIKey is SKFGYXYGUMJGPU-CLCXKQKWSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-7-15-12-14(21-10-5-6-11-21)13-19(23-15)16-8-3-4-9-17(16)20-18(19)22/h3-4,8-9,14-15H,2,5-7,10-13H2,1H3,(H,20,22)/t14-,15-,19+/m1/s1.
What are the key properties of (3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one?
(3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one has a molecular weight of 314.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4'R,6'R)-6'-propyl-4'-pyrrolidin-1-ylspiro[1H-indole-3,2'-oxane]-2-one is sourced from PubChem (CID 134156681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).