[1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine

C13H17N3O — CID 66415489

IUPAC[1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESNCc1cn(CC2CCCO2)c2ncccc12
InChIInChI=1S/C13H17N3O/c14-7-10-8-16(9-11-3-2-6-17-11)13-12(10)4-1-5-15-13/h1,4-5,8,11H,2-3,6-7,9,14H2
InChIKeyWXQFSVPEYUCYHH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.67
Rot. Bonds3

About [1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine

[1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine (PubChem CID 66415489) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
PubChem CID66415489
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESNCc1cn(CC2CCCO2)c2ncccc12
InChIInChI=1S/C13H17N3O/c14-7-10-8-16(9-11-3-2-6-17-11)13-12(10)4-1-5-15-13/h1,4-5,8,11H,2-3,6-7,9,14H2
InChIKeyWXQFSVPEYUCYHH-UHFFFAOYSA-N
XLogP1.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The IUPAC name of [1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine (CID 66415489) is [1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The canonical SMILES for [1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine is NCc1cn(CC2CCCO2)c2ncccc12.
What is the InChIKey of [1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The InChIKey is WXQFSVPEYUCYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-7-10-8-16(9-11-3-2-6-17-11)13-12(10)4-1-5-15-13/h1,4-5,8,11H,2-3,6-7,9,14H2.
What are the key properties of [1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
[1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 66415489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).