1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione

C19H23N3O2 — CID 720483

IUPAC1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCCN1C(=O)C2(c3ccccc31)N1CC3(C)CN2CC(C)(C1)C3=O
InChIInChI=1S/C19H23N3O2/c1-4-22-14-8-6-5-7-13(14)19(16(22)24)20-9-17(2)10-21(19)12-18(3,11-20)15(17)23/h5-8H,4,9-12H2,1-3H3
InChIKeyNZDCVBHRESFVHZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.43
Rot. Bonds1

About 1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione

1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (PubChem CID 720483) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
PubChem CID720483
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCCN1C(=O)C2(c3ccccc31)N1CC3(C)CN2CC(C)(C1)C3=O
InChIInChI=1S/C19H23N3O2/c1-4-22-14-8-6-5-7-13(14)19(16(22)24)20-9-17(2)10-21(19)12-18(3,11-20)15(17)23/h5-8H,4,9-12H2,1-3H3
InChIKeyNZDCVBHRESFVHZ-UHFFFAOYSA-N
XLogP1.43
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The IUPAC name of 1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (CID 720483) is 1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.
What is the SMILES notation for 1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The canonical SMILES for 1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is CCN1C(=O)C2(c3ccccc31)N1CC3(C)CN2CC(C)(C1)C3=O.
What is the InChIKey of 1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The InChIKey is NZDCVBHRESFVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-22-14-8-6-5-7-13(14)19(16(22)24)20-9-17(2)10-21(19)12-18(3,11-20)15(17)23/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione has a molecular weight of 325.41 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is sourced from PubChem (CID 720483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).