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

C19H23N3O2 — CID 752763

IUPAC5-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)Nc3ccccc31)C2=O
InChIInChI=1S/C19H23N3O2/c1-3-8-18-11-21-9-17(2,15(18)23)10-22(12-18)19(21)13-6-4-5-7-14(13)20-16(19)24/h4-7H,3,8-12H2,1-2H3,(H,20,24)
InChIKeyOUWUWLKSHNGJSL-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.80
Rot. Bonds2

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

5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (PubChem CID 752763) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.

Molecular Properties

Compound Name5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
PubChem CID752763
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-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)Nc3ccccc31)C2=O
InChIInChI=1S/C19H23N3O2/c1-3-8-18-11-21-9-17(2,15(18)23)10-22(12-18)19(21)13-6-4-5-7-14(13)20-16(19)24/h4-7H,3,8-12H2,1-2H3,(H,20,24)
InChIKeyOUWUWLKSHNGJSL-UHFFFAOYSA-N
XLogP1.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 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-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (CID 752763) is 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-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The canonical SMILES for 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)Nc3ccccc31)C2=O.
What is the InChIKey of 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The InChIKey is OUWUWLKSHNGJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-8-18-11-21-9-17(2,15(18)23)10-22(12-18)19(21)13-6-4-5-7-14(13)20-16(19)24/h4-7H,3,8-12H2,1-2H3,(H,20,24).
What are the key properties of 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
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 325.41 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 752763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).