(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol

C14H19NO3 — CID 14201432

IUPAC(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol
SMILESCCCN1CCO[C@@H]2c3cccc(O)c3OC[C@H]21
InChIInChI=1S/C14H19NO3/c1-2-6-15-7-8-17-13-10-4-3-5-12(16)14(10)18-9-11(13)15/h3-5,11,13,16H,2,6-9H2,1H3/t11-,13-/m1/s1
InChIKeyPQZVZHFVFJNYNL-DGCLKSJQSA-N
MW249.31 g/mol
LogP1.94
Rot. Bonds2

About (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol

(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol (PubChem CID 14201432) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol.

Molecular Properties

Compound Name(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol
PubChem CID14201432
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol
SMILESCCCN1CCO[C@@H]2c3cccc(O)c3OC[C@H]21
InChIInChI=1S/C14H19NO3/c1-2-6-15-7-8-17-13-10-4-3-5-12(16)14(10)18-9-11(13)15/h3-5,11,13,16H,2,6-9H2,1H3/t11-,13-/m1/s1
InChIKeyPQZVZHFVFJNYNL-DGCLKSJQSA-N
XLogP1.94
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol 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 (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol?
The IUPAC name of (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol (CID 14201432) is (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol.
What is the SMILES notation for (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol?
The canonical SMILES for (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol is CCCN1CCO[C@@H]2c3cccc(O)c3OC[C@H]21.
What is the InChIKey of (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol?
The InChIKey is PQZVZHFVFJNYNL-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-6-15-7-8-17-13-10-4-3-5-12(16)14(10)18-9-11(13)15/h3-5,11,13,16H,2,6-9H2,1H3/t11-,13-/m1/s1.
What are the key properties of (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol?
(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol has a molecular weight of 249.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-7-ol is sourced from PubChem (CID 14201432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).