4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol

C15H19NO2 — CID 14151702

IUPAC4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol
SMILESCCCN1CCC=C2c3cc(O)ccc3OCC21
InChIInChI=1S/C15H19NO2/c1-2-7-16-8-3-4-12-13-9-11(17)5-6-15(13)18-10-14(12)16/h4-6,9,14,17H,2-3,7-8,10H2,1H3
InChIKeyGOAIESIEBXUUKO-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.65
Rot. Bonds2

About 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol

4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol (PubChem CID 14151702) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol.

Molecular Properties

Compound Name4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol
PubChem CID14151702
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol
SMILESCCCN1CCC=C2c3cc(O)ccc3OCC21
InChIInChI=1S/C15H19NO2/c1-2-7-16-8-3-4-12-13-9-11(17)5-6-15(13)18-10-14(12)16/h4-6,9,14,17H,2-3,7-8,10H2,1H3
InChIKeyGOAIESIEBXUUKO-UHFFFAOYSA-N
XLogP2.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol?
The IUPAC name of 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol (CID 14151702) is 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol.
What is the SMILES notation for 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol?
The canonical SMILES for 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol is CCCN1CCC=C2c3cc(O)ccc3OCC21.
What is the InChIKey of 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol?
The InChIKey is GOAIESIEBXUUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-7-16-8-3-4-12-13-9-11(17)5-6-15(13)18-10-14(12)16/h4-6,9,14,17H,2-3,7-8,10H2,1H3.
What are the key properties of 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol?
4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol has a molecular weight of 245.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol is sourced from PubChem (CID 14151702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).