1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde

C14H17N3O2 — CID 79182622

IUPAC1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCN1CCOC(Cn2cc(C=O)c3cccnc32)C1
InChIInChI=1S/C14H17N3O2/c1-16-5-6-19-12(8-16)9-17-7-11(10-18)13-3-2-4-15-14(13)17/h2-4,7,10,12H,5-6,8-9H2,1H3
InChIKeyGYOWMCRATRRGGS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.18
Rot. Bonds3

About 1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde

1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 79182622) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID79182622
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCN1CCOC(Cn2cc(C=O)c3cccnc32)C1
InChIInChI=1S/C14H17N3O2/c1-16-5-6-19-12(8-16)9-17-7-11(10-18)13-3-2-4-15-14(13)17/h2-4,7,10,12H,5-6,8-9H2,1H3
InChIKeyGYOWMCRATRRGGS-UHFFFAOYSA-N
XLogP1.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 79182622) is 1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde is CN1CCOC(Cn2cc(C=O)c3cccnc32)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is GYOWMCRATRRGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-5-6-19-12(8-16)9-17-7-11(10-18)13-3-2-4-15-14(13)17/h2-4,7,10,12H,5-6,8-9H2,1H3.
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 259.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 79182622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).