2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine

C9H13N3 — CID 117224043

IUPAC2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine
SMILESNCCN1CCc2ncccc21
InChIInChI=1S/C9H13N3/c10-4-7-12-6-3-8-9(12)2-1-5-11-8/h1-2,5H,3-4,6-7,10H2
InChIKeyJWIYZJMUMOWNPK-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.40
Rot. Bonds2

About 2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine

2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine (PubChem CID 117224043) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine
PubChem CID117224043
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine
SMILESNCCN1CCc2ncccc21
InChIInChI=1S/C9H13N3/c10-4-7-12-6-3-8-9(12)2-1-5-11-8/h1-2,5H,3-4,6-7,10H2
InChIKeyJWIYZJMUMOWNPK-UHFFFAOYSA-N
XLogP0.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-3,4-dihydro-2H-1,5-naphthyridine
CID 146506440
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
3-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-3-thiophen-2-ylpropan-1-amine
CID 137452107
2-(6-chloro-2,3-dihydroindol-1-yl)ethanamine
CID 10198073
1-(6-chloro-5-methylpyrimidin-4-yl)-2,3-dihydropyrrolo[3,2-b]pyridine
CID 59566483
2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine
CID 22612698
2-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylethanamine
CID 86712779
4H-1,5-naphthyridin-1-amine
CID 143529753
2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]pyridin-3-amine
CID 104740104
CID 102140339
CID 102140339
1-(3-fluoropropyl)-2,3-dihydroindol-4-amine
CID 81106114

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine (CID 117224043) is 2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine is NCCN1CCc2ncccc21.
What is the InChIKey of 2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine?
The InChIKey is JWIYZJMUMOWNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-4-7-12-6-3-8-9(12)2-1-5-11-8/h1-2,5H,3-4,6-7,10H2.
What are the key properties of 2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine?
2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine has a molecular weight of 163.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanamine is sourced from PubChem (CID 117224043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).