(3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione

C20H19NO3 — CID 135305792

IUPAC(3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione
SMILESO=C1CCO[C@@]2(C1)C(=O)N(CCc1ccccc1)c1ccccc12
InChIInChI=1S/C20H19NO3/c22-16-11-13-24-20(14-16)17-8-4-5-9-18(17)21(19(20)23)12-10-15-6-2-1-3-7-15/h1-9H,10-14H2/t20-/m1/s1
InChIKeyDBKWJYBWWYKIBP-HXUWFJFHSA-N
MW321.38 g/mol
LogP2.85
Rot. Bonds3

About (3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione

(3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione (PubChem CID 135305792) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione.

Molecular Properties

Compound Name(3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione
PubChem CID135305792
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione
SMILESO=C1CCO[C@@]2(C1)C(=O)N(CCc1ccccc1)c1ccccc12
InChIInChI=1S/C20H19NO3/c22-16-11-13-24-20(14-16)17-8-4-5-9-18(17)21(19(20)23)12-10-15-6-2-1-3-7-15/h1-9H,10-14H2/t20-/m1/s1
InChIKeyDBKWJYBWWYKIBP-HXUWFJFHSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione?
The IUPAC name of (3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione (CID 135305792) is (3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione.
What is the SMILES notation for (3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione?
The canonical SMILES for (3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione is O=C1CCO[C@@]2(C1)C(=O)N(CCc1ccccc1)c1ccccc12.
What is the InChIKey of (3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione?
The InChIKey is DBKWJYBWWYKIBP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19NO3/c22-16-11-13-24-20(14-16)17-8-4-5-9-18(17)21(19(20)23)12-10-15-6-2-1-3-7-15/h1-9H,10-14H2/t20-/m1/s1.
What are the key properties of (3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione?
(3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione has a molecular weight of 321.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-phenylethyl)spiro[indole-3,2'-oxane]-2,4'-dione is sourced from PubChem (CID 135305792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).