spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile

C12H13N3O — CID 152618988

IUPACspiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile
SMILESN#Cc1ccc2c(n1)C1(CCOCC1)CN2
InChIInChI=1S/C12H13N3O/c13-7-9-1-2-10-11(15-9)12(8-14-10)3-5-16-6-4-12/h1-2,14H,3-6,8H2
InChIKeyZBCUUYBNQYRRHY-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.43
Rot. Bonds

About spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile

spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile (PubChem CID 152618988) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile.

Molecular Properties

Compound Namespiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile
PubChem CID152618988
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Namespiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile
SMILESN#Cc1ccc2c(n1)C1(CCOCC1)CN2
InChIInChI=1S/C12H13N3O/c13-7-9-1-2-10-11(15-9)12(8-14-10)3-5-16-6-4-12/h1-2,14H,3-6,8H2
InChIKeyZBCUUYBNQYRRHY-UHFFFAOYSA-N
XLogP1.43
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile 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 spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile?
The IUPAC name of spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile (CID 152618988) is spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile.
What is the SMILES notation for spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile?
The canonical SMILES for spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile is N#Cc1ccc2c(n1)C1(CCOCC1)CN2.
What is the InChIKey of spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile?
The InChIKey is ZBCUUYBNQYRRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-7-9-1-2-10-11(15-9)12(8-14-10)3-5-16-6-4-12/h1-2,14H,3-6,8H2.
What are the key properties of spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile?
spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile has a molecular weight of 215.26 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carbonitrile is sourced from PubChem (CID 152618988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).