1-propan-2-yl-3a,4-dihydroindole-2,3-dione

C11H13NO2 — CID 141194899

IUPAC1-propan-2-yl-3a,4-dihydroindole-2,3-dione
SMILESCC(C)N1C(=O)C(=O)C2CC=CC=C21
InChIInChI=1S/C11H13NO2/c1-7(2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-4,6-8H,5H2,1-2H3
InChIKeyGMIHBKLTZZGSSA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.27
Rot. Bonds1

About 1-propan-2-yl-3a,4-dihydroindole-2,3-dione

1-propan-2-yl-3a,4-dihydroindole-2,3-dione (PubChem CID 141194899) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-propan-2-yl-3a,4-dihydroindole-2,3-dione.

Molecular Properties

Compound Name1-propan-2-yl-3a,4-dihydroindole-2,3-dione
PubChem CID141194899
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-propan-2-yl-3a,4-dihydroindole-2,3-dione
SMILESCC(C)N1C(=O)C(=O)C2CC=CC=C21
InChIInChI=1S/C11H13NO2/c1-7(2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-4,6-8H,5H2,1-2H3
InChIKeyGMIHBKLTZZGSSA-UHFFFAOYSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Fluoro-1-pentyl-3a,7a-dihydroindole-2,3-dione
CID 69113815
6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one
CID 141049129
1-Ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)-3a,4-dihydroindole-2,3-dione
CID 141194881
1-(Trifluoromethyl)-3a,4-dihydroindole-2,3-dione
CID 141758041
7-Fluoro-1-methyl-3a,4-dihydroindole-2,3-dione
CID 164898676
1-Fluoro-7-methyl-3a,4-dihydroindole-2,3-dione
CID 174844855
Tetrahydropyrrolo[2,1-a]isoquinoline-2,3-dione
CID 129796154
2-Acetyldihydroindolizine
CID 129827945
Acetyl tetrahydroindolizine
CID 133063975
(1S,5R)-6-propan-2-yl-6-azabicyclo[3.2.1]oct-3-ene-7,8-dione
CID 11052225
1-methyl-3a,7a-dihydro-3H-indol-2-one
CID 68190017
1-(3-Methylpentyl)-7,7a-dihydroindole-2,3-dione
CID 69166192

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3a,4-dihydroindole-2,3-dione?
The IUPAC name of 1-propan-2-yl-3a,4-dihydroindole-2,3-dione (CID 141194899) is 1-propan-2-yl-3a,4-dihydroindole-2,3-dione.
What is the SMILES notation for 1-propan-2-yl-3a,4-dihydroindole-2,3-dione?
The canonical SMILES for 1-propan-2-yl-3a,4-dihydroindole-2,3-dione is CC(C)N1C(=O)C(=O)C2CC=CC=C21.
What is the InChIKey of 1-propan-2-yl-3a,4-dihydroindole-2,3-dione?
The InChIKey is GMIHBKLTZZGSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 1-propan-2-yl-3a,4-dihydroindole-2,3-dione?
1-propan-2-yl-3a,4-dihydroindole-2,3-dione has a molecular weight of 191.23 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3a,4-dihydroindole-2,3-dione is sourced from PubChem (CID 141194899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).