(1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione

C21H23N3O3 — CID 25163936

IUPAC(1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione
SMILESCC1(C)[C@H]2C[C@]34CCCN3C(=O)[C@@]2(C[C@@]12Nc1ccccc1C2=O)NC4=O
InChIInChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)/t14-,19+,20+,21+/m1/s1
InChIKeyMWOFPQAPILIIPR-LYARXQMPSA-N
MW365.43 g/mol
LogP1.71
Rot. Bonds

About (1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione

(1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione (PubChem CID 25163936) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione.

Molecular Properties

Compound Name(1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione
PubChem CID25163936
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione
SMILESCC1(C)[C@H]2C[C@]34CCCN3C(=O)[C@@]2(C[C@@]12Nc1ccccc1C2=O)NC4=O
InChIInChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)/t14-,19+,20+,21+/m1/s1
InChIKeyMWOFPQAPILIIPR-LYARXQMPSA-N
XLogP1.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione?
The IUPAC name of (1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione (CID 25163936) is (1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione.
What is the SMILES notation for (1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione?
The canonical SMILES for (1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione is CC1(C)[C@H]2C[C@]34CCCN3C(=O)[C@@]2(C[C@@]12Nc1ccccc1C2=O)NC4=O.
What is the InChIKey of (1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione?
The InChIKey is MWOFPQAPILIIPR-LYARXQMPSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)/t14-,19+,20+,21+/m1/s1.
What are the key properties of (1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione?
(1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione has a molecular weight of 365.43 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2R,7'S,9'R)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione is sourced from PubChem (CID 25163936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).