4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine

C15H19NO — CID 14151683

IUPAC4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine
SMILESCCCN1CCC=C2c3ccccc3OCC21
InChIInChI=1S/C15H19NO/c1-2-9-16-10-5-7-12-13-6-3-4-8-15(13)17-11-14(12)16/h3-4,6-8,14H,2,5,9-11H2,1H3
InChIKeyRJOQHKDARNLTBC-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.95
Rot. Bonds2

About 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine

4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine (PubChem CID 14151683) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine.

Molecular Properties

Compound Name4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine
PubChem CID14151683
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine
SMILESCCCN1CCC=C2c3ccccc3OCC21
InChIInChI=1S/C15H19NO/c1-2-9-16-10-5-7-12-13-6-3-4-8-15(13)17-11-14(12)16/h3-4,6-8,14H,2,5,9-11H2,1H3
InChIKeyRJOQHKDARNLTBC-UHFFFAOYSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine?
The IUPAC name of 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine (CID 14151683) is 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine.
What is the SMILES notation for 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine?
The canonical SMILES for 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine is CCCN1CCC=C2c3ccccc3OCC21.
What is the InChIKey of 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine?
The InChIKey is RJOQHKDARNLTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-9-16-10-5-7-12-13-6-3-4-8-15(13)17-11-14(12)16/h3-4,6-8,14H,2,5,9-11H2,1H3.
What are the key properties of 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine?
4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine has a molecular weight of 229.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridine is sourced from PubChem (CID 14151683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).