5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C19H23N3O — CID 742446

IUPAC5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCn1cc(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc21
InChIInChI=1S/C19H23N3O/c1-18-9-21-11-19(2,17(18)23)12-22(10-18)16(21)14-8-20(3)15-7-5-4-6-13(14)15/h4-8,16H,9-12H2,1-3H3
InChIKeyOILSUAOPHMBUFP-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.40
Rot. Bonds1

About 5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 742446) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID742446
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCn1cc(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc21
InChIInChI=1S/C19H23N3O/c1-18-9-21-11-19(2,17(18)23)12-22(10-18)16(21)14-8-20(3)15-7-5-4-6-13(14)15/h4-8,16H,9-12H2,1-3H3
InChIKeyOILSUAOPHMBUFP-UHFFFAOYSA-N
XLogP2.40
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 742446) is 5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is Cn1cc(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc21.
What is the InChIKey of 5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is OILSUAOPHMBUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-18-9-21-11-19(2,17(18)23)12-22(10-18)16(21)14-8-20(3)15-7-5-4-6-13(14)15/h4-8,16H,9-12H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 309.41 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 742446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).