1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]

C15H21N3O2 — CID 90247763

IUPAC1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
SMILESc1cnc2c(c1)N(N1CCOCC1)CC21CCOCC1
InChIInChI=1S/C15H21N3O2/c1-2-13-14(16-5-1)15(3-8-19-9-4-15)12-18(13)17-6-10-20-11-7-17/h1-2,5H,3-4,6-12H2
InChIKeyKWVKRDPNOCWOKQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.20
Rot. Bonds1

About 1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]

1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] (PubChem CID 90247763) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane].

Molecular Properties

Compound Name1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
PubChem CID90247763
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]
SMILESc1cnc2c(c1)N(N1CCOCC1)CC21CCOCC1
InChIInChI=1S/C15H21N3O2/c1-2-13-14(16-5-1)15(3-8-19-9-4-15)12-18(13)17-6-10-20-11-7-17/h1-2,5H,3-4,6-12H2
InChIKeyKWVKRDPNOCWOKQ-UHFFFAOYSA-N
XLogP1.20
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?
The IUPAC name of 1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] (CID 90247763) is 1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane].
What is the SMILES notation for 1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?
The canonical SMILES for 1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] is c1cnc2c(c1)N(N1CCOCC1)CC21CCOCC1.
What is the InChIKey of 1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?
The InChIKey is KWVKRDPNOCWOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-13-14(16-5-1)15(3-8-19-9-4-15)12-18(13)17-6-10-20-11-7-17/h1-2,5H,3-4,6-12H2.
What are the key properties of 1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]?
1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] has a molecular weight of 275.35 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylspiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane] is sourced from PubChem (CID 90247763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).