(3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione

C19H17NO3 — CID 134945069

IUPAC(3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione
SMILESCN1C(=O)[C@@]2(CC(=O)C[C@@H](c3ccccc3)O2)c2ccccc21
InChIInChI=1S/C19H17NO3/c1-20-16-10-6-5-9-15(16)19(18(20)22)12-14(21)11-17(23-19)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3/t17-,19+/m0/s1
InChIKeySDCPKMGKYPQCCX-PKOBYXMFSA-N
MW307.35 g/mol
LogP2.98
Rot. Bonds1

About (3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione

(3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione (PubChem CID 134945069) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione.

Molecular Properties

Compound Name(3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione
PubChem CID134945069
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione
SMILESCN1C(=O)[C@@]2(CC(=O)C[C@@H](c3ccccc3)O2)c2ccccc21
InChIInChI=1S/C19H17NO3/c1-20-16-10-6-5-9-15(16)19(18(20)22)12-14(21)11-17(23-19)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3/t17-,19+/m0/s1
InChIKeySDCPKMGKYPQCCX-PKOBYXMFSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione?
The IUPAC name of (3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione (CID 134945069) is (3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione.
What is the SMILES notation for (3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione?
The canonical SMILES for (3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione is CN1C(=O)[C@@]2(CC(=O)C[C@@H](c3ccccc3)O2)c2ccccc21.
What is the InChIKey of (3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione?
The InChIKey is SDCPKMGKYPQCCX-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H17NO3/c1-20-16-10-6-5-9-15(16)19(18(20)22)12-14(21)11-17(23-19)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3/t17-,19+/m0/s1.
What are the key properties of (3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione?
(3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione has a molecular weight of 307.35 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6'S)-1-methyl-6'-phenylspiro[indole-3,2'-oxane]-2,4'-dione is sourced from PubChem (CID 134945069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).