5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione

C21H27N3O2 — CID 1367557

IUPAC5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
SMILESCC(C)C12CN3CC(C(C)C)(CN(C1)C31C(=O)Nc3ccccc31)C2=O
InChIInChI=1S/C21H27N3O2/c1-13(2)19-9-23-11-20(14(3)4,17(19)25)12-24(10-19)21(23)15-7-5-6-8-16(15)22-18(21)26/h5-8,13-14H,9-12H2,1-4H3,(H,22,26)
InChIKeyQOQPAIPXBOVQGH-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.29
Rot. Bonds2

About 5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione

5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (PubChem CID 1367557) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.

Molecular Properties

Compound Name5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
PubChem CID1367557
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
SMILESCC(C)C12CN3CC(C(C)C)(CN(C1)C31C(=O)Nc3ccccc31)C2=O
InChIInChI=1S/C21H27N3O2/c1-13(2)19-9-23-11-20(14(3)4,17(19)25)12-24(10-19)21(23)15-7-5-6-8-16(15)22-18(21)26/h5-8,13-14H,9-12H2,1-4H3,(H,22,26)
InChIKeyQOQPAIPXBOVQGH-UHFFFAOYSA-N
XLogP2.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The IUPAC name of 5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (CID 1367557) is 5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.
What is the SMILES notation for 5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The canonical SMILES for 5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione is CC(C)C12CN3CC(C(C)C)(CN(C1)C31C(=O)Nc3ccccc31)C2=O.
What is the InChIKey of 5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The InChIKey is QOQPAIPXBOVQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-13(2)19-9-23-11-20(14(3)4,17(19)25)12-24(10-19)21(23)15-7-5-6-8-16(15)22-18(21)26/h5-8,13-14H,9-12H2,1-4H3,(H,22,26).
What are the key properties of 5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione has a molecular weight of 353.47 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-di(propan-2-yl)spiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione is sourced from PubChem (CID 1367557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).