(3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione

C21H23N3O4 — CID 163190946

IUPAC(3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione
SMILESCC1(C)C=CN2C(=O)[C@]3(O)CCCN3C(=O)[C@@H]2C[C@@]12Nc1ccccc1C2=O
InChIInChI=1S/C21H23N3O4/c1-19(2)9-11-23-15(17(26)24-10-5-8-21(24,28)18(23)27)12-20(19)16(25)13-6-3-4-7-14(13)22-20/h3-4,6-7,9,11,15,22,28H,5,8,10,12H2,1-2H3/t15-,20-,21+/m0/s1
InChIKeyBGIQDYPEQQKSSV-ONGXBYRLSA-N
MW381.43 g/mol
LogP1.50
Rot. Bonds

About (3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione

(3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione (PubChem CID 163190946) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione.

Molecular Properties

Compound Name(3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione
PubChem CID163190946
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione
SMILESCC1(C)C=CN2C(=O)[C@]3(O)CCCN3C(=O)[C@@H]2C[C@@]12Nc1ccccc1C2=O
InChIInChI=1S/C21H23N3O4/c1-19(2)9-11-23-15(17(26)24-10-5-8-21(24,28)18(23)27)12-20(19)16(25)13-6-3-4-7-14(13)22-20/h3-4,6-7,9,11,15,22,28H,5,8,10,12H2,1-2H3/t15-,20-,21+/m0/s1
InChIKeyBGIQDYPEQQKSSV-ONGXBYRLSA-N
XLogP1.50
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione
CID 164666145
(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
3-hydroxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 163112483
(7aR)-2-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-7a-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 125137274
2-methyl-2-(2-oxopropyl)-1H-indol-3-one
CID 121014651
(10S)-7-[(E)-(3-oxo-1H-indol-2-ylidene)methyl]-10-propan-2-yl-5,8-diazatricyclo[5.2.2.01,5]undecane-6,9-dione
CID 139588785
6a-ethyl-6,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 167089042
(1R,4S,7S,9R)-4,9-dimethyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
CID 174358487
(1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 166444138
methyl (1'R,2S,7'S,8'S,9'S)-9'-[(1S)-1-hydroxyethyl]-3-oxospiro[1H-indole-2,6'-3-azatricyclo[5.3.1.03,8]undecane]-7'-carboxylate
CID 139045392
methyl (1'R,7'S,8'S,9'S)-9'-ethyl-3-oxospiro[1H-indole-2,6'-3-azatricyclo[5.3.1.03,8]undecane]-7'-carboxylate
CID 102121233
5a-methyl-3,4,5,6-tetrahydro-1H-diazepino[7,1-b]quinazoline-2,11-dione
CID 57387507

Frequently Asked Questions

What is the IUPAC name of (3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione?
The IUPAC name of (3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione (CID 163190946) is (3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione.
What is the SMILES notation for (3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione?
The canonical SMILES for (3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione is CC1(C)C=CN2C(=O)[C@]3(O)CCCN3C(=O)[C@@H]2C[C@@]12Nc1ccccc1C2=O.
What is the InChIKey of (3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione?
The InChIKey is BGIQDYPEQQKSSV-ONGXBYRLSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-19(2)9-11-23-15(17(26)24-10-5-8-21(24,28)18(23)27)12-20(19)16(25)13-6-3-4-7-14(13)22-20/h3-4,6-7,9,11,15,22,28H,5,8,10,12H2,1-2H3/t15-,20-,21+/m0/s1.
What are the key properties of (3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione?
(3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione has a molecular weight of 381.43 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9S,11R)-3-hydroxy-12,12-dimethylspiro[1,7-diazatricyclo[7.5.0.03,7]tetradec-13-ene-11,2'-1H-indole]-2,3',8-trione is sourced from PubChem (CID 163190946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).