[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium

C8H9N2O+ — CID 6921460

IUPAC[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
SMILES[NH3+][C@H]1C(=O)Nc2ccccc21
InChIInChI=1S/C8H8N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4,7H,9H2,(H,10,11)/p+1/t7-/m1/s1
InChIKeyKOURBIFKJIEMRK-SSDOTTSWSA-O
MW149.17 g/mol
LogP-0.08
Rot. Bonds

About [(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium

[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium (PubChem CID 6921460) has the molecular formula C8H9N2O+ and a molecular weight of 149.17 g/mol. Its IUPAC name is [(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium.

Molecular Properties

Compound Name[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
PubChem CID6921460
Molecular FormulaC8H9N2O+
Molecular Weight149.17 g/mol
Exact Mass149.07
IUPAC Name[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
SMILES[NH3+][C@H]1C(=O)Nc2ccccc21
InChIInChI=1S/C8H8N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4,7H,9H2,(H,10,11)/p+1/t7-/m1/s1
InChIKeyKOURBIFKJIEMRK-SSDOTTSWSA-O
XLogP-0.08
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium
CID 175320984
3-ethoxy-1,3-dihydroindol-2-one
CID 5206883
3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one
CID 83752879
3-(4-aminophenyl)-1,3-dihydroindol-2-one
CID 118364316
1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one;hydrochloride
CID 167311658
2-(2-oxo-1,3-dihydroindol-3-yl)acetaldehyde
CID 22380583
(2-oxo-1,3-dihydroindol-3-yl) hydrogen sulfate
CID 157010389
3-(1,3-thiazol-5-yl)-1,3-dihydroindol-2-one
CID 151897433
3-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43370920
(3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one
CID 6990829
3-(2-oxo-1,3-dihydroindol-3-yl)propanal
CID 86190152
3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one
CID 102010173

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium?
The IUPAC name of [(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium (CID 6921460) is [(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium.
What is the SMILES notation for [(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium?
The canonical SMILES for [(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium is [NH3+][C@H]1C(=O)Nc2ccccc21.
What is the InChIKey of [(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium?
The InChIKey is KOURBIFKJIEMRK-SSDOTTSWSA-O. The full InChI is InChI=1S/C8H8N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4,7H,9H2,(H,10,11)/p+1/t7-/m1/s1.
What are the key properties of [(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium?
[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium has a molecular weight of 149.17 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium is sourced from PubChem (CID 6921460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).