4-propyl-3a,7a-dihydro-1H-indole-2,3-dione

C11H13NO2 — CID 59419251

IUPAC4-propyl-3a,7a-dihydro-1H-indole-2,3-dione
SMILESCCCC1=CC=CC2NC(=O)C(=O)C12
InChIInChI=1S/C11H13NO2/c1-2-4-7-5-3-6-8-9(7)10(13)11(14)12-8/h3,5-6,8-9H,2,4H2,1H3,(H,12,14)
InChIKeyCANFMGKKDIZRHI-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.97
Rot. Bonds2

About 4-propyl-3a,7a-dihydro-1H-indole-2,3-dione

4-propyl-3a,7a-dihydro-1H-indole-2,3-dione (PubChem CID 59419251) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-propyl-3a,7a-dihydro-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-propyl-3a,7a-dihydro-1H-indole-2,3-dione
PubChem CID59419251
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-propyl-3a,7a-dihydro-1H-indole-2,3-dione
SMILESCCCC1=CC=CC2NC(=O)C(=O)C12
InChIInChI=1S/C11H13NO2/c1-2-4-7-5-3-6-8-9(7)10(13)11(14)12-8/h3,5-6,8-9H,2,4H2,1H3,(H,12,14)
InChIKeyCANFMGKKDIZRHI-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-3a,7a-dihydro-1H-indole-2,3-dione?
The IUPAC name of 4-propyl-3a,7a-dihydro-1H-indole-2,3-dione (CID 59419251) is 4-propyl-3a,7a-dihydro-1H-indole-2,3-dione.
What is the SMILES notation for 4-propyl-3a,7a-dihydro-1H-indole-2,3-dione?
The canonical SMILES for 4-propyl-3a,7a-dihydro-1H-indole-2,3-dione is CCCC1=CC=CC2NC(=O)C(=O)C12.
What is the InChIKey of 4-propyl-3a,7a-dihydro-1H-indole-2,3-dione?
The InChIKey is CANFMGKKDIZRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-4-7-5-3-6-8-9(7)10(13)11(14)12-8/h3,5-6,8-9H,2,4H2,1H3,(H,12,14).
What are the key properties of 4-propyl-3a,7a-dihydro-1H-indole-2,3-dione?
4-propyl-3a,7a-dihydro-1H-indole-2,3-dione has a molecular weight of 191.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-3a,7a-dihydro-1H-indole-2,3-dione is sourced from PubChem (CID 59419251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).