3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole

C11H11N3 — CID 54270460

IUPAC3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole
SMILESC1=CC(C2=CN=C3C=NC=C23)NCC1
InChIInChI=1S/C11H11N3/c1-2-4-13-10(3-1)9-6-14-11-7-12-5-8(9)11/h1,3,5-7,10,13H,2,4H2
InChIKeyRJSZTBQKJFBMPX-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.21
Rot. Bonds1

About 3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole

3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole (PubChem CID 54270460) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole
PubChem CID54270460
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole
SMILESC1=CC(C2=CN=C3C=NC=C23)NCC1
InChIInChI=1S/C11H11N3/c1-2-4-13-10(3-1)9-6-14-11-7-12-5-8(9)11/h1,3,5-7,10,13H,2,4H2
InChIKeyRJSZTBQKJFBMPX-UHFFFAOYSA-N
XLogP1.21
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole (CID 54270460) is 3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole is C1=CC(C2=CN=C3C=NC=C23)NCC1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole?
The InChIKey is RJSZTBQKJFBMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-4-13-10(3-1)9-6-14-11-7-12-5-8(9)11/h1,3,5-7,10,13H,2,4H2.
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole?
3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole has a molecular weight of 185.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-6-yl)pyrrolo[3,4-b]pyrrole is sourced from PubChem (CID 54270460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).