1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole

C18H19N — CID 141490789

IUPAC1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole
SMILESCC1=Cc2c(cccc2N2CCC3CC=CC=C32)C1
InChIInChI=1S/C18H19N/c1-13-11-15-6-4-8-18(16(15)12-13)19-10-9-14-5-2-3-7-17(14)19/h2-4,6-8,12,14H,5,9-11H2,1H3
InChIKeyDYBNQQLSFJVLBD-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.32
Rot. Bonds1

About 1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole

1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole (PubChem CID 141490789) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole.

Molecular Properties

Compound Name1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole
PubChem CID141490789
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole
SMILESCC1=Cc2c(cccc2N2CCC3CC=CC=C32)C1
InChIInChI=1S/C18H19N/c1-13-11-15-6-4-8-18(16(15)12-13)19-10-9-14-5-2-3-7-17(14)19/h2-4,6-8,12,14H,5,9-11H2,1H3
InChIKeyDYBNQQLSFJVLBD-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole?
The IUPAC name of 1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole (CID 141490789) is 1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole.
What is the SMILES notation for 1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole?
The canonical SMILES for 1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole is CC1=Cc2c(cccc2N2CCC3CC=CC=C32)C1.
What is the InChIKey of 1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole?
The InChIKey is DYBNQQLSFJVLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-13-11-15-6-4-8-18(16(15)12-13)19-10-9-14-5-2-3-7-17(14)19/h2-4,6-8,12,14H,5,9-11H2,1H3.
What are the key properties of 1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole?
1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole has a molecular weight of 249.36 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-inden-4-yl)-2,3,3a,4-tetrahydroindole is sourced from PubChem (CID 141490789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).