3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine

C8H11N3 — CID 123478970

IUPAC3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine
SMILESNCC1=CC=NC2N=CCC12
InChIInChI=1S/C8H11N3/c9-5-6-1-3-10-8-7(6)2-4-11-8/h1,3-4,7-8H,2,5,9H2
InChIKeyXVAWOYWYPVAFEX-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.37
Rot. Bonds1

About 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine

3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine (PubChem CID 123478970) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine.

Molecular Properties

Compound Name3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine
PubChem CID123478970
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine
SMILESNCC1=CC=NC2N=CCC12
InChIInChI=1S/C8H11N3/c9-5-6-1-3-10-8-7(6)2-4-11-8/h1,3-4,7-8H,2,5,9H2
InChIKeyXVAWOYWYPVAFEX-UHFFFAOYSA-N
XLogP0.37
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine?
The IUPAC name of 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine (CID 123478970) is 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine.
What is the SMILES notation for 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine?
The canonical SMILES for 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine is NCC1=CC=NC2N=CCC12.
What is the InChIKey of 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine?
The InChIKey is XVAWOYWYPVAFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-5-6-1-3-10-8-7(6)2-4-11-8/h1,3-4,7-8H,2,5,9H2.
What are the key properties of 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine?
3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine has a molecular weight of 149.20 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridin-4-ylmethanamine is sourced from PubChem (CID 123478970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).