6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine

C16H25NO — CID 170669183

IUPAC6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine
SMILESCC(C)c1ccnc2c1C(C(C)C)CCCCO2
InChIInChI=1S/C16H25NO/c1-11(2)13-7-5-6-10-18-16-15(13)14(12(3)4)8-9-17-16/h8-9,11-13H,5-7,10H2,1-4H3
InChIKeyWKMJVLBKBLBZGR-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.51
Rot. Bonds2

About 6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine

6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine (PubChem CID 170669183) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine.

Molecular Properties

Compound Name6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine
PubChem CID170669183
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine
SMILESCC(C)c1ccnc2c1C(C(C)C)CCCCO2
InChIInChI=1S/C16H25NO/c1-11(2)13-7-5-6-10-18-16-15(13)14(12(3)4)8-9-17-16/h8-9,11-13H,5-7,10H2,1-4H3
InChIKeyWKMJVLBKBLBZGR-UHFFFAOYSA-N
XLogP4.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine?
The IUPAC name of 6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine (CID 170669183) is 6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine.
What is the SMILES notation for 6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine?
The canonical SMILES for 6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine is CC(C)c1ccnc2c1C(C(C)C)CCCCO2.
What is the InChIKey of 6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine?
The InChIKey is WKMJVLBKBLBZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)13-7-5-6-10-18-16-15(13)14(12(3)4)8-9-17-16/h8-9,11-13H,5-7,10H2,1-4H3.
What are the key properties of 6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine?
6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine has a molecular weight of 247.38 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-oxocino[2,3-b]pyridine is sourced from PubChem (CID 170669183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).