1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione

C12H10FN3O2 — CID 163231265

IUPAC1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cc3[nH]ccc3cc2F)C(=O)N1
InChIInChI=1S/C12H10FN3O2/c13-8-5-7-1-3-14-9(7)6-10(8)16-4-2-11(17)15-12(16)18/h1,3,5-6,14H,2,4H2,(H,15,17,18)
InChIKeyIZUQSTDAFXTMPP-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.75
Rot. Bonds1

About 1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione

1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione (PubChem CID 163231265) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
PubChem CID163231265
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cc3[nH]ccc3cc2F)C(=O)N1
InChIInChI=1S/C12H10FN3O2/c13-8-5-7-1-3-14-9(7)6-10(8)16-4-2-11(17)15-12(16)18/h1,3,5-6,14H,2,4H2,(H,15,17,18)
InChIKeyIZUQSTDAFXTMPP-UHFFFAOYSA-N
XLogP1.75
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione (CID 163231265) is 1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione is O=C1CCN(c2cc3[nH]ccc3cc2F)C(=O)N1.
What is the InChIKey of 1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione?
The InChIKey is IZUQSTDAFXTMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-8-5-7-1-3-14-9(7)6-10(8)16-4-2-11(17)15-12(16)18/h1,3,5-6,14H,2,4H2,(H,15,17,18).
What are the key properties of 1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione?
1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione has a molecular weight of 247.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indol-6-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 163231265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).