5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one

C11H15NO — CID 58101925

IUPAC5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one
SMILESCC(C)C1=CC2CC(=O)NC2C=C1
InChIInChI=1S/C11H15NO/c1-7(2)8-3-4-10-9(5-8)6-11(13)12-10/h3-5,7,9-10H,6H2,1-2H3,(H,12,13)
InChIKeyQEECOAFQHIUJCV-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.64
Rot. Bonds1

About 5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one

5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one (PubChem CID 58101925) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one.

Molecular Properties

Compound Name5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one
PubChem CID58101925
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one
SMILESCC(C)C1=CC2CC(=O)NC2C=C1
InChIInChI=1S/C11H15NO/c1-7(2)8-3-4-10-9(5-8)6-11(13)12-10/h3-5,7,9-10H,6H2,1-2H3,(H,12,13)
InChIKeyQEECOAFQHIUJCV-UHFFFAOYSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one?
The IUPAC name of 5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one (CID 58101925) is 5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one.
What is the SMILES notation for 5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one?
The canonical SMILES for 5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one is CC(C)C1=CC2CC(=O)NC2C=C1.
What is the InChIKey of 5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one?
The InChIKey is QEECOAFQHIUJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7(2)8-3-4-10-9(5-8)6-11(13)12-10/h3-5,7,9-10H,6H2,1-2H3,(H,12,13).
What are the key properties of 5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one?
5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one has a molecular weight of 177.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3,3a,7a-tetrahydroindol-2-one is sourced from PubChem (CID 58101925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).