2,5,6,7-tetrahydroindol-4-one

C8H9NO — CID 59252682

IUPAC2,5,6,7-tetrahydroindol-4-one
SMILESO=C1CCCC2=NCC=C12
InChIInChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4H,1-3,5H2
InChIKeyQIKIKSAYXMHTNA-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.12
Rot. Bonds

About 2,5,6,7-tetrahydroindol-4-one

2,5,6,7-tetrahydroindol-4-one (PubChem CID 59252682) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2,5,6,7-tetrahydroindol-4-one
PubChem CID59252682
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2,5,6,7-tetrahydroindol-4-one
SMILESO=C1CCCC2=NCC=C12
InChIInChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4H,1-3,5H2
InChIKeyQIKIKSAYXMHTNA-UHFFFAOYSA-N
XLogP1.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3,4,6-Tetrahydrobenzo[d][1]benzazepin-1-one
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(3E)-2-(3-Methylbut-2-en-1-ylidene)-3-(methylimino)cyclohexan-1-one
CID 71427204
(3E)-3-(Methylimino)-2-(prop-2-en-1-ylidene)cyclohexan-1-one
CID 71427207
2,4,5,6-Tetrahydroindol-7-one
CID 126422152
(2E)-3-methylimino-2-prop-2-enylidenecyclohexan-1-one
CID 131863424
(2E)-2-(3-methylbut-2-enylidene)-3-methyliminocyclohexan-1-one
CID 131863426

Frequently Asked Questions

What is the IUPAC name of 2,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2,5,6,7-tetrahydroindol-4-one (CID 59252682) is 2,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2,5,6,7-tetrahydroindol-4-one is O=C1CCCC2=NCC=C12.
What is the InChIKey of 2,5,6,7-tetrahydroindol-4-one?
The InChIKey is QIKIKSAYXMHTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4H,1-3,5H2.
What are the key properties of 2,5,6,7-tetrahydroindol-4-one?
2,5,6,7-tetrahydroindol-4-one has a molecular weight of 135.17 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 59252682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).