5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole

C19H18N2 — CID 89191170

IUPAC5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole
SMILESC=C1c2cc(CC)ccc2CN1c1ccc2c(c1)CC=N2
InChIInChI=1S/C19H18N2/c1-3-14-4-5-16-12-21(13(2)18(16)10-14)17-6-7-19-15(11-17)8-9-20-19/h4-7,9-11H,2-3,8,12H2,1H3
InChIKeyBQGMGGPKGRUETG-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.50
Rot. Bonds2

About 5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole

5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole (PubChem CID 89191170) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole.

Molecular Properties

Compound Name5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole
PubChem CID89191170
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole
SMILESC=C1c2cc(CC)ccc2CN1c1ccc2c(c1)CC=N2
InChIInChI=1S/C19H18N2/c1-3-14-4-5-16-12-21(13(2)18(16)10-14)17-6-7-19-15(11-17)8-9-20-19/h4-7,9-11H,2-3,8,12H2,1H3
InChIKeyBQGMGGPKGRUETG-UHFFFAOYSA-N
XLogP4.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole?
The IUPAC name of 5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole (CID 89191170) is 5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole.
What is the SMILES notation for 5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole?
The canonical SMILES for 5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole is C=C1c2cc(CC)ccc2CN1c1ccc2c(c1)CC=N2.
What is the InChIKey of 5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole?
The InChIKey is BQGMGGPKGRUETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-3-14-4-5-16-12-21(13(2)18(16)10-14)17-6-7-19-15(11-17)8-9-20-19/h4-7,9-11H,2-3,8,12H2,1H3.
What are the key properties of 5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole?
5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole has a molecular weight of 274.37 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole is sourced from PubChem (CID 89191170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).