3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

C14H14N2O3 — CID 102690195

IUPAC3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESO=C1C2CCC(O2)C(=O)N1c1ccc2c(c1)CCN2
InChIInChI=1S/C14H14N2O3/c17-13-11-3-4-12(19-11)14(18)16(13)9-1-2-10-8(7-9)5-6-15-10/h1-2,7,11-12,15H,3-6H2
InChIKeyBKMZBCOYONMCIL-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.08
Rot. Bonds1

About 3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 102690195) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID102690195
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESO=C1C2CCC(O2)C(=O)N1c1ccc2c(c1)CCN2
InChIInChI=1S/C14H14N2O3/c17-13-11-3-4-12(19-11)14(18)16(13)9-1-2-10-8(7-9)5-6-15-10/h1-2,7,11-12,15H,3-6H2
InChIKeyBKMZBCOYONMCIL-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (CID 102690195) is 3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is O=C1C2CCC(O2)C(=O)N1c1ccc2c(c1)CCN2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is BKMZBCOYONMCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13-11-3-4-12(19-11)14(18)16(13)9-1-2-10-8(7-9)5-6-15-10/h1-2,7,11-12,15H,3-6H2.
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 258.28 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 102690195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).