1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine

C13H19N3 — CID 142415629

IUPAC1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine
SMILESCN1C=CC2N=CC(CC3CCNC3)=CC21
InChIInChI=1S/C13H19N3/c1-16-5-3-12-13(16)7-11(9-15-12)6-10-2-4-14-8-10/h3,5,7,9-10,12-14H,2,4,6,8H2,1H3
InChIKeyXSPWPXHKWVGPSM-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.19
Rot. Bonds2

About 1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine

1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine (PubChem CID 142415629) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine
PubChem CID142415629
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine
SMILESCN1C=CC2N=CC(CC3CCNC3)=CC21
InChIInChI=1S/C13H19N3/c1-16-5-3-12-13(16)7-11(9-15-12)6-10-2-4-14-8-10/h3,5,7,9-10,12-14H,2,4,6,8H2,1H3
InChIKeyXSPWPXHKWVGPSM-UHFFFAOYSA-N
XLogP1.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of 1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine (CID 142415629) is 1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine is CN1C=CC2N=CC(CC3CCNC3)=CC21.
What is the InChIKey of 1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is XSPWPXHKWVGPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-16-5-3-12-13(16)7-11(9-15-12)6-10-2-4-14-8-10/h3,5,7,9-10,12-14H,2,4,6,8H2,1H3.
What are the key properties of 1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine?
1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 217.32 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(pyrrolidin-3-ylmethyl)-3a,7a-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 142415629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).