(5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione

C18H19NO3 — CID 118714680

IUPAC(5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione
SMILESC[C@@H]1[C@@H](O)C(=O)C2=C(CCC2)[C@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C18H19NO3/c1-10-15(20)16(21)11-6-5-8-12(11)18(10)13-7-3-4-9-14(13)19(2)17(18)22/h3-4,7,9-10,15,20H,5-6,8H2,1-2H3/t10-,15-,18-/m1/s1
InChIKeyXYZWUTVMGFJRHN-QEIWDELWSA-N
MW297.35 g/mol
LogP1.96
Rot. Bonds

About (5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione

(5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione (PubChem CID 118714680) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione
PubChem CID118714680
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione
SMILESC[C@@H]1[C@@H](O)C(=O)C2=C(CCC2)[C@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C18H19NO3/c1-10-15(20)16(21)11-6-5-8-12(11)18(10)13-7-3-4-9-14(13)19(2)17(18)22/h3-4,7,9-10,15,20H,5-6,8H2,1-2H3/t10-,15-,18-/m1/s1
InChIKeyXYZWUTVMGFJRHN-QEIWDELWSA-N
XLogP1.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione?
The IUPAC name of (5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione (CID 118714680) is (5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione.
What is the SMILES notation for (5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione?
The canonical SMILES for (5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione is C[C@@H]1[C@@H](O)C(=O)C2=C(CCC2)[C@]12C(=O)N(C)c1ccccc12.
What is the InChIKey of (5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione?
The InChIKey is XYZWUTVMGFJRHN-QEIWDELWSA-N. The full InChI is InChI=1S/C18H19NO3/c1-10-15(20)16(21)11-6-5-8-12(11)18(10)13-7-3-4-9-14(13)19(2)17(18)22/h3-4,7,9-10,15,20H,5-6,8H2,1-2H3/t10-,15-,18-/m1/s1.
What are the key properties of (5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione?
(5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione has a molecular weight of 297.35 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7R)-5-hydroxy-1',6-dimethylspiro[2,3,5,6-tetrahydro-1H-indene-7,3'-indole]-2',4-dione is sourced from PubChem (CID 118714680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).