2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile

C16H20N2O — CID 69011290

IUPAC2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile
SMILESCC(C)(C#N)Cc1cnc2c(c1)CCC1(CCC1)O2
InChIInChI=1S/C16H20N2O/c1-15(2,11-17)9-12-8-13-4-7-16(5-3-6-16)19-14(13)18-10-12/h8,10H,3-7,9H2,1-2H3
InChIKeyKUEKAUYYPBYFLQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.42
Rot. Bonds2

About 2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile

2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile (PubChem CID 69011290) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile
PubChem CID69011290
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile
SMILESCC(C)(C#N)Cc1cnc2c(c1)CCC1(CCC1)O2
InChIInChI=1S/C16H20N2O/c1-15(2,11-17)9-12-8-13-4-7-16(5-3-6-16)19-14(13)18-10-12/h8,10H,3-7,9H2,1-2H3
InChIKeyKUEKAUYYPBYFLQ-UHFFFAOYSA-N
XLogP3.42
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile?
The IUPAC name of 2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile (CID 69011290) is 2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile?
The canonical SMILES for 2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile is CC(C)(C#N)Cc1cnc2c(c1)CCC1(CCC1)O2.
What is the InChIKey of 2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile?
The InChIKey is KUEKAUYYPBYFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-15(2,11-17)9-12-8-13-4-7-16(5-3-6-16)19-14(13)18-10-12/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile?
2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile has a molecular weight of 256.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-6-ylpropanenitrile is sourced from PubChem (CID 69011290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).