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

C8H9NO — CID 118643922

IUPAC1,2,3,7a-tetrahydroindol-7-one
SMILESO=C1C=CC=C2CCNC12
InChIInChI=1S/C8H9NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-3,8-9H,4-5H2
InChIKeyVJTRIBUTGHZCLE-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.41
Rot. Bonds

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

1,2,3,7a-tetrahydroindol-7-one (PubChem CID 118643922) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1,2,3,7a-tetrahydroindol-7-one.

Molecular Properties

Compound Name1,2,3,7a-tetrahydroindol-7-one
PubChem CID118643922
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1,2,3,7a-tetrahydroindol-7-one
SMILESO=C1C=CC=C2CCNC12
InChIInChI=1S/C8H9NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-3,8-9H,4-5H2
InChIKeyVJTRIBUTGHZCLE-UHFFFAOYSA-N
XLogP0.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,7a-tetrahydroindol-7-one?
The IUPAC name of 1,2,3,7a-tetrahydroindol-7-one (CID 118643922) is 1,2,3,7a-tetrahydroindol-7-one.
What is the SMILES notation for 1,2,3,7a-tetrahydroindol-7-one?
The canonical SMILES for 1,2,3,7a-tetrahydroindol-7-one is O=C1C=CC=C2CCNC12.
What is the InChIKey of 1,2,3,7a-tetrahydroindol-7-one?
The InChIKey is VJTRIBUTGHZCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-3,8-9H,4-5H2.
What are the key properties of 1,2,3,7a-tetrahydroindol-7-one?
1,2,3,7a-tetrahydroindol-7-one has a molecular weight of 135.17 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7a-tetrahydroindol-7-one is sourced from PubChem (CID 118643922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).