5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione

C19H22BrN3O2 — CID 1267159

IUPAC5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
SMILESCCCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccc(Br)cc31)C2=O
InChIInChI=1S/C19H22BrN3O2/c1-3-6-18-10-22-8-17(2,15(18)24)9-23(11-18)19(22)13-7-12(20)4-5-14(13)21-16(19)25/h4-5,7H,3,6,8-11H2,1-2H3,(H,21,25)
InChIKeyJMNMPCCBDBTNMX-UHFFFAOYSA-N
MW404.31 g/mol
LogP2.56
Rot. Bonds2

About 5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione

5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (PubChem CID 1267159) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.

Molecular Properties

Compound Name5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
PubChem CID1267159
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
SMILESCCCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccc(Br)cc31)C2=O
InChIInChI=1S/C19H22BrN3O2/c1-3-6-18-10-22-8-17(2,15(18)24)9-23(11-18)19(22)13-7-12(20)4-5-14(13)21-16(19)25/h4-5,7H,3,6,8-11H2,1-2H3,(H,21,25)
InChIKeyJMNMPCCBDBTNMX-UHFFFAOYSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5r,7s)-1'-benzyl-5,7-dimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 654492
5,5'-dimethyl-7-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 907670
5-butyl-1',5',7-trimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 2215331
5,7-diethyl-1',5'-dimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 665872
1',5,5',7-tetramethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 752241
5,7-Diisopropyl-1,3-diazaspiro[adamantane-2,3'-indoline]-2',6-dione
CID 1367557
CID 44819160
CID 44819160
CID 44819162
CID 44819162
1'-isopropyl-5,7-dimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 697193
5,7-dimethyl-1'-propyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 702963
1',5,7-trimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 720481
1'-ethyl-5,7-dimethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,3'-indole]-2',6(1'H)-dione
CID 720483

Frequently Asked Questions

What is the IUPAC name of 5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The IUPAC name of 5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (CID 1267159) is 5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.
What is the SMILES notation for 5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The canonical SMILES for 5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione is CCCC12CN3CC(C)(CN(C1)C31C(=O)Nc3ccc(Br)cc31)C2=O.
What is the InChIKey of 5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The InChIKey is JMNMPCCBDBTNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-3-6-18-10-22-8-17(2,15(18)24)9-23(11-18)19(22)13-7-12(20)4-5-14(13)21-16(19)25/h4-5,7H,3,6,8-11H2,1-2H3,(H,21,25).
What are the key properties of 5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione has a molecular weight of 404.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione is sourced from PubChem (CID 1267159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).