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

C12H13N3O2 — CID 163231111

IUPAC1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc3c(c2)NCC3)C(=O)N1
InChIInChI=1S/C12H13N3O2/c16-11-4-6-15(12(17)14-11)9-2-1-8-3-5-13-10(8)7-9/h1-2,7,13H,3-6H2,(H,14,16,17)
InChIKeyOZCCTUAQZRVOCI-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.10
Rot. Bonds1

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

1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione (PubChem CID 163231111) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
PubChem CID163231111
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc3c(c2)NCC3)C(=O)N1
InChIInChI=1S/C12H13N3O2/c16-11-4-6-15(12(17)14-11)9-2-1-8-3-5-13-10(8)7-9/h1-2,7,13H,3-6H2,(H,14,16,17)
InChIKeyOZCCTUAQZRVOCI-UHFFFAOYSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione (CID 163231111) is 1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc3c(c2)NCC3)C(=O)N1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione?
The InChIKey is OZCCTUAQZRVOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-11-4-6-15(12(17)14-11)9-2-1-8-3-5-13-10(8)7-9/h1-2,7,13H,3-6H2,(H,14,16,17).
What are the key properties of 1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione?
1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione has a molecular weight of 231.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-6-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 163231111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).