1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione

C17H19N3O2 — CID 176562093

IUPAC1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione
SMILESCc1cc2c(cc1N1CCC(=O)NC1=O)c(C1CC1)cn2C
InChIInChI=1S/C17H19N3O2/c1-10-7-15-12(13(9-19(15)2)11-3-4-11)8-14(10)20-6-5-16(21)18-17(20)22/h7-9,11H,3-6H2,1-2H3,(H,18,21,22)
InChIKeyAWUYKWRWDXEQBD-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.81
Rot. Bonds2

About 1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione

1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione (PubChem CID 176562093) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione
PubChem CID176562093
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione
SMILESCc1cc2c(cc1N1CCC(=O)NC1=O)c(C1CC1)cn2C
InChIInChI=1S/C17H19N3O2/c1-10-7-15-12(13(9-19(15)2)11-3-4-11)8-14(10)20-6-5-16(21)18-17(20)22/h7-9,11H,3-6H2,1-2H3,(H,18,21,22)
InChIKeyAWUYKWRWDXEQBD-UHFFFAOYSA-N
XLogP2.81
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione (CID 176562093) is 1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione is Cc1cc2c(cc1N1CCC(=O)NC1=O)c(C1CC1)cn2C.
What is the InChIKey of 1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione?
The InChIKey is AWUYKWRWDXEQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10-7-15-12(13(9-19(15)2)11-3-4-11)8-14(10)20-6-5-16(21)18-17(20)22/h7-9,11H,3-6H2,1-2H3,(H,18,21,22).
What are the key properties of 1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione?
1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione has a molecular weight of 297.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176562093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).