2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine

C11H15N3 — CID 118974412

IUPAC2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCN1Cc2ccc(N3CCC3)nc2C1
InChIInChI=1S/C11H15N3/c1-13-7-9-3-4-11(12-10(9)8-13)14-5-2-6-14/h3-4H,2,5-8H2,1H3
InChIKeyPBNXQEUPRIJCAX-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.24
Rot. Bonds1

About 2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine

2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 118974412) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID118974412
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCN1Cc2ccc(N3CCC3)nc2C1
InChIInChI=1S/C11H15N3/c1-13-7-9-3-4-11(12-10(9)8-13)14-5-2-6-14/h3-4H,2,5-8H2,1H3
InChIKeyPBNXQEUPRIJCAX-UHFFFAOYSA-N
XLogP1.24
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine (CID 118974412) is 2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine is CN1Cc2ccc(N3CCC3)nc2C1.
What is the InChIKey of 2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is PBNXQEUPRIJCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-13-7-9-3-4-11(12-10(9)8-13)14-5-2-6-14/h3-4H,2,5-8H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine?
2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 189.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 118974412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).