5-methyl-1,3,5,6-tetrahydroindol-2-one

C9H11NO — CID 89029271

IUPAC5-methyl-1,3,5,6-tetrahydroindol-2-one
SMILESCC1C=C2CC(=O)NC2=CC1
InChIInChI=1S/C9H11NO/c1-6-2-3-8-7(4-6)5-9(11)10-8/h3-4,6H,2,5H2,1H3,(H,10,11)
InChIKeyCMYVGZBHCQMPPM-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.36
Rot. Bonds

About 5-methyl-1,3,5,6-tetrahydroindol-2-one

5-methyl-1,3,5,6-tetrahydroindol-2-one (PubChem CID 89029271) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5-methyl-1,3,5,6-tetrahydroindol-2-one.

Molecular Properties

Compound Name5-methyl-1,3,5,6-tetrahydroindol-2-one
PubChem CID89029271
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5-methyl-1,3,5,6-tetrahydroindol-2-one
SMILESCC1C=C2CC(=O)NC2=CC1
InChIInChI=1S/C9H11NO/c1-6-2-3-8-7(4-6)5-9(11)10-8/h3-4,6H,2,5H2,1H3,(H,10,11)
InChIKeyCMYVGZBHCQMPPM-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3,5,6-tetrahydroindol-2-one?
The IUPAC name of 5-methyl-1,3,5,6-tetrahydroindol-2-one (CID 89029271) is 5-methyl-1,3,5,6-tetrahydroindol-2-one.
What is the SMILES notation for 5-methyl-1,3,5,6-tetrahydroindol-2-one?
The canonical SMILES for 5-methyl-1,3,5,6-tetrahydroindol-2-one is CC1C=C2CC(=O)NC2=CC1.
What is the InChIKey of 5-methyl-1,3,5,6-tetrahydroindol-2-one?
The InChIKey is CMYVGZBHCQMPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-2-3-8-7(4-6)5-9(11)10-8/h3-4,6H,2,5H2,1H3,(H,10,11).
What are the key properties of 5-methyl-1,3,5,6-tetrahydroindol-2-one?
5-methyl-1,3,5,6-tetrahydroindol-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,5,6-tetrahydroindol-2-one is sourced from PubChem (CID 89029271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).