4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine

C14H14N2O — CID 69088832

IUPAC4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine
SMILESC1=CN(OCc2ccccc2)C2=CCNC2=C1
InChIInChI=1S/C14H14N2O/c1-2-5-12(6-3-1)11-17-16-10-4-7-13-14(16)8-9-15-13/h1-8,10,15H,9,11H2
InChIKeyXLTPMCZAKATPEK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.32
Rot. Bonds3

About 4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine

4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine (PubChem CID 69088832) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine
PubChem CID69088832
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine
SMILESC1=CN(OCc2ccccc2)C2=CCNC2=C1
InChIInChI=1S/C14H14N2O/c1-2-5-12(6-3-1)11-17-16-10-4-7-13-14(16)8-9-15-13/h1-8,10,15H,9,11H2
InChIKeyXLTPMCZAKATPEK-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of 4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine (CID 69088832) is 4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine is C1=CN(OCc2ccccc2)C2=CCNC2=C1.
What is the InChIKey of 4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is XLTPMCZAKATPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-5-12(6-3-1)11-17-16-10-4-7-13-14(16)8-9-15-13/h1-8,10,15H,9,11H2.
What are the key properties of 4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine?
4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 226.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1,2-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 69088832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).