6-methylidene-1,2,3,5-tetrahydroindole

C9H11N — CID 146681435

IUPAC6-methylidene-1,2,3,5-tetrahydroindole
SMILESC=C1C=C2NCCC2=CC1
InChIInChI=1S/C9H11N/c1-7-2-3-8-4-5-10-9(8)6-7/h3,6,10H,1-2,4-5H2
InChIKeyQXTXMKRBMHUORJ-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.75
Rot. Bonds

About 6-methylidene-1,2,3,5-tetrahydroindole

6-methylidene-1,2,3,5-tetrahydroindole (PubChem CID 146681435) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 6-methylidene-1,2,3,5-tetrahydroindole.

Molecular Properties

Compound Name6-methylidene-1,2,3,5-tetrahydroindole
PubChem CID146681435
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name6-methylidene-1,2,3,5-tetrahydroindole
SMILESC=C1C=C2NCCC2=CC1
InChIInChI=1S/C9H11N/c1-7-2-3-8-4-5-10-9(8)6-7/h3,6,10H,1-2,4-5H2
InChIKeyQXTXMKRBMHUORJ-UHFFFAOYSA-N
XLogP1.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-Dihydroindole
CID 57086633
Tetrahydroindole
CID 18315885
5,6,7-Tetrahydroindole
CID 19835372
1,2,3,5-Tetrahydroquinoline
CID 20349835
5,6-Dihydrotryptamine
CID 67559680
Tetrahydroindenoindole
CID 87216495
Dihydroindenoindole
CID 87773111
Dihydroindeno[1,2-b]pyridine
CID 129712711
Tetra-hydrocyclopenta[b]azepine
CID 129742811
Dihydroindeno[1,2-b]pyrrole
CID 129864700
1,2,2,3,3,3a,4-heptadeuterio-4H-indole
CID 140923187
5-fluoro-2-methyl-2,4-dihydro-1H-indole
CID 89846202

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1,2,3,5-tetrahydroindole?
The IUPAC name of 6-methylidene-1,2,3,5-tetrahydroindole (CID 146681435) is 6-methylidene-1,2,3,5-tetrahydroindole.
What is the SMILES notation for 6-methylidene-1,2,3,5-tetrahydroindole?
The canonical SMILES for 6-methylidene-1,2,3,5-tetrahydroindole is C=C1C=C2NCCC2=CC1.
What is the InChIKey of 6-methylidene-1,2,3,5-tetrahydroindole?
The InChIKey is QXTXMKRBMHUORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-7-2-3-8-4-5-10-9(8)6-7/h3,6,10H,1-2,4-5H2.
What are the key properties of 6-methylidene-1,2,3,5-tetrahydroindole?
6-methylidene-1,2,3,5-tetrahydroindole has a molecular weight of 133.19 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-1,2,3,5-tetrahydroindole is sourced from PubChem (CID 146681435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).