(4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine

C14H19NO2 — CID 14151633

IUPAC(4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
SMILESCOc1cccc2c1OC[C@@H]1[C@@H]2CCCN1C
InChIInChI=1S/C14H19NO2/c1-15-8-4-6-10-11-5-3-7-13(16-2)14(11)17-9-12(10)15/h3,5,7,10,12H,4,6,8-9H2,1-2H3/t10-,12-/m1/s1
InChIKeyGFCDMVGEDLAHIF-ZYHUDNBSSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds1

About (4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine

(4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine (PubChem CID 14151633) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine.

Molecular Properties

Compound Name(4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
PubChem CID14151633
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
SMILESCOc1cccc2c1OC[C@@H]1[C@@H]2CCCN1C
InChIInChI=1S/C14H19NO2/c1-15-8-4-6-10-11-5-3-7-13(16-2)14(11)17-9-12(10)15/h3,5,7,10,12H,4,6,8-9H2,1-2H3/t10-,12-/m1/s1
InChIKeyGFCDMVGEDLAHIF-ZYHUDNBSSA-N
XLogP2.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine?
The IUPAC name of (4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine (CID 14151633) is (4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine.
What is the SMILES notation for (4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine?
The canonical SMILES for (4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine is COc1cccc2c1OC[C@@H]1[C@@H]2CCCN1C.
What is the InChIKey of (4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine?
The InChIKey is GFCDMVGEDLAHIF-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-8-4-6-10-11-5-3-7-13(16-2)14(11)17-9-12(10)15/h3,5,7,10,12H,4,6,8-9H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of (4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine?
(4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine has a molecular weight of 233.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10bR)-7-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine is sourced from PubChem (CID 14151633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).