4-propyl-1,3,3a,7a-tetrahydroindol-2-one

C11H15NO — CID 59419108

IUPAC4-propyl-1,3,3a,7a-tetrahydroindol-2-one
SMILESCCCC1=CC=CC2NC(=O)CC12
InChIInChI=1S/C11H15NO/c1-2-4-8-5-3-6-10-9(8)7-11(13)12-10/h3,5-6,9-10H,2,4,7H2,1H3,(H,12,13)
InChIKeyUNCSZYBJSXWPED-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.79
Rot. Bonds2

About 4-propyl-1,3,3a,7a-tetrahydroindol-2-one

4-propyl-1,3,3a,7a-tetrahydroindol-2-one (PubChem CID 59419108) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-propyl-1,3,3a,7a-tetrahydroindol-2-one.

Molecular Properties

Compound Name4-propyl-1,3,3a,7a-tetrahydroindol-2-one
PubChem CID59419108
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-propyl-1,3,3a,7a-tetrahydroindol-2-one
SMILESCCCC1=CC=CC2NC(=O)CC12
InChIInChI=1S/C11H15NO/c1-2-4-8-5-3-6-10-9(8)7-11(13)12-10/h3,5-6,9-10H,2,4,7H2,1H3,(H,12,13)
InChIKeyUNCSZYBJSXWPED-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,3,3a,7a-tetrahydroindol-2-one?
The IUPAC name of 4-propyl-1,3,3a,7a-tetrahydroindol-2-one (CID 59419108) is 4-propyl-1,3,3a,7a-tetrahydroindol-2-one.
What is the SMILES notation for 4-propyl-1,3,3a,7a-tetrahydroindol-2-one?
The canonical SMILES for 4-propyl-1,3,3a,7a-tetrahydroindol-2-one is CCCC1=CC=CC2NC(=O)CC12.
What is the InChIKey of 4-propyl-1,3,3a,7a-tetrahydroindol-2-one?
The InChIKey is UNCSZYBJSXWPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-8-5-3-6-10-9(8)7-11(13)12-10/h3,5-6,9-10H,2,4,7H2,1H3,(H,12,13).
What are the key properties of 4-propyl-1,3,3a,7a-tetrahydroindol-2-one?
4-propyl-1,3,3a,7a-tetrahydroindol-2-one has a molecular weight of 177.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,3,3a,7a-tetrahydroindol-2-one is sourced from PubChem (CID 59419108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).