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

C14H15N3O2 — CID 154953984

IUPAC1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione
SMILESCc1ccc2c(N3CCC(=O)NC3=O)cn(C)c2c1
InChIInChI=1S/C14H15N3O2/c1-9-3-4-10-11(7-9)16(2)8-12(10)17-6-5-13(18)15-14(17)19/h3-4,7-8H,5-6H2,1-2H3,(H,15,18,19)
InChIKeyFMGHFSVOTUJMKP-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.93
Rot. Bonds1

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

1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 154953984) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione
PubChem CID154953984
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione
SMILESCc1ccc2c(N3CCC(=O)NC3=O)cn(C)c2c1
InChIInChI=1S/C14H15N3O2/c1-9-3-4-10-11(7-9)16(2)8-12(10)17-6-5-13(18)15-14(17)19/h3-4,7-8H,5-6H2,1-2H3,(H,15,18,19)
InChIKeyFMGHFSVOTUJMKP-UHFFFAOYSA-N
XLogP1.93
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione (CID 154953984) is 1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione is Cc1ccc2c(N3CCC(=O)NC3=O)cn(C)c2c1.
What is the InChIKey of 1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is FMGHFSVOTUJMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-3-4-10-11(7-9)16(2)8-12(10)17-6-5-13(18)15-14(17)19/h3-4,7-8H,5-6H2,1-2H3,(H,15,18,19).
What are the key properties of 1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione?
1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 257.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 154953984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).