2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine

C17H16N2 — CID 58367770

IUPAC2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine
SMILESCN1Cc2ccc(-c3cc4ccccn4c3)cc2C1
InChIInChI=1S/C17H16N2/c1-18-10-14-6-5-13(8-15(14)11-18)16-9-17-4-2-3-7-19(17)12-16/h2-9,12H,10-11H2,1H3
InChIKeyDCAISWAOMJBNKZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.55
Rot. Bonds1

About 2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine

2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine (PubChem CID 58367770) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine.

Molecular Properties

Compound Name2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine
PubChem CID58367770
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine
SMILESCN1Cc2ccc(-c3cc4ccccn4c3)cc2C1
InChIInChI=1S/C17H16N2/c1-18-10-14-6-5-13(8-15(14)11-18)16-9-17-4-2-3-7-19(17)12-16/h2-9,12H,10-11H2,1H3
InChIKeyDCAISWAOMJBNKZ-UHFFFAOYSA-N
XLogP3.55
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine?
The IUPAC name of 2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine (CID 58367770) is 2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine.
What is the SMILES notation for 2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine?
The canonical SMILES for 2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine is CN1Cc2ccc(-c3cc4ccccn4c3)cc2C1.
What is the InChIKey of 2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine?
The InChIKey is DCAISWAOMJBNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-18-10-14-6-5-13(8-15(14)11-18)16-9-17-4-2-3-7-19(17)12-16/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine?
2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine has a molecular weight of 248.33 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dihydroisoindol-5-yl)indolizine is sourced from PubChem (CID 58367770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).