1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine

C16H25NO — CID 170669164

IUPAC1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine
SMILESCC(C)c1nccc2c1C(C(C)C)CCCOC2
InChIInChI=1S/C16H25NO/c1-11(2)14-6-5-9-18-10-13-7-8-17-16(12(3)4)15(13)14/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyUGKJZDIUKNECOQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.26
Rot. Bonds2

About 1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine

1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine (PubChem CID 170669164) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine.

Molecular Properties

Compound Name1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine
PubChem CID170669164
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine
SMILESCC(C)c1nccc2c1C(C(C)C)CCCOC2
InChIInChI=1S/C16H25NO/c1-11(2)14-6-5-9-18-10-13-7-8-17-16(12(3)4)15(13)14/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyUGKJZDIUKNECOQ-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine 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 1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine?
The IUPAC name of 1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine (CID 170669164) is 1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine.
What is the SMILES notation for 1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine?
The canonical SMILES for 1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine is CC(C)c1nccc2c1C(C(C)C)CCCOC2.
What is the InChIKey of 1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine?
The InChIKey is UGKJZDIUKNECOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)14-6-5-9-18-10-13-7-8-17-16(12(3)4)15(13)14/h7-8,11-12,14H,5-6,9-10H2,1-4H3.
What are the key properties of 1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine?
1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine has a molecular weight of 247.38 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-di(propan-2-yl)-7,8,9,10-tetrahydro-5H-oxocino[4,3-c]pyridine is sourced from PubChem (CID 170669164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).