3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine

C12H15N3O — CID 135332651

IUPAC3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
SMILESCC1NCCOC1c1cnc2[nH]ccc2c1
InChIInChI=1S/C12H15N3O/c1-8-11(16-5-4-13-8)10-6-9-2-3-14-12(9)15-7-10/h2-3,6-8,11,13H,4-5H2,1H3,(H,14,15)
InChIKeyLWZWHBOYPDTGFH-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.61
Rot. Bonds1

About 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine

3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine (PubChem CID 135332651) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine.

Molecular Properties

Compound Name3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
PubChem CID135332651
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
SMILESCC1NCCOC1c1cnc2[nH]ccc2c1
InChIInChI=1S/C12H15N3O/c1-8-11(16-5-4-13-8)10-6-9-2-3-14-12(9)15-7-10/h2-3,6-8,11,13H,4-5H2,1H3,(H,14,15)
InChIKeyLWZWHBOYPDTGFH-UHFFFAOYSA-N
XLogP1.61
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine?
The IUPAC name of 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine (CID 135332651) is 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine.
What is the SMILES notation for 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine?
The canonical SMILES for 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine is CC1NCCOC1c1cnc2[nH]ccc2c1.
What is the InChIKey of 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine?
The InChIKey is LWZWHBOYPDTGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-11(16-5-4-13-8)10-6-9-2-3-14-12(9)15-7-10/h2-3,6-8,11,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine?
3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine has a molecular weight of 217.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine is sourced from PubChem (CID 135332651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).