4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole

C19H18N2 — CID 89191013

IUPAC4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole
SMILESC=C1c2c(C)cccc2CN1c1ccc2ccn(C)c2c1
InChIInChI=1S/C19H18N2/c1-13-5-4-6-16-12-21(14(2)19(13)16)17-8-7-15-9-10-20(3)18(15)11-17/h4-11H,2,12H2,1,3H3
InChIKeyICSSLNWQBBZCFU-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.48
Rot. Bonds1

About 4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole

4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole (PubChem CID 89191013) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole.

Molecular Properties

Compound Name4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole
PubChem CID89191013
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole
SMILESC=C1c2c(C)cccc2CN1c1ccc2ccn(C)c2c1
InChIInChI=1S/C19H18N2/c1-13-5-4-6-16-12-21(14(2)19(13)16)17-8-7-15-9-10-20(3)18(15)11-17/h4-11H,2,12H2,1,3H3
InChIKeyICSSLNWQBBZCFU-UHFFFAOYSA-N
XLogP4.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole?
The IUPAC name of 4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole (CID 89191013) is 4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole.
What is the SMILES notation for 4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole?
The canonical SMILES for 4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole is C=C1c2c(C)cccc2CN1c1ccc2ccn(C)c2c1.
What is the InChIKey of 4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole?
The InChIKey is ICSSLNWQBBZCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-13-5-4-6-16-12-21(14(2)19(13)16)17-8-7-15-9-10-20(3)18(15)11-17/h4-11H,2,12H2,1,3H3.
What are the key properties of 4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole?
4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole has a molecular weight of 274.37 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidene-2-(1-methylindol-6-yl)-1H-isoindole is sourced from PubChem (CID 89191013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).