(4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol

C14H19NO2 — CID 14450375

IUPAC(4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
SMILESCc1ccc(O)c2c1[C@H]1CCCN(C)[C@@H]1CO2
InChIInChI=1S/C14H19NO2/c1-9-5-6-12(16)14-13(9)10-4-3-7-15(2)11(10)8-17-14/h5-6,10-11,16H,3-4,7-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyLJXJXZFDHJGEBQ-WDEREUQCSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds

About (4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol

(4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol (PubChem CID 14450375) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol.

Molecular Properties

Compound Name(4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
PubChem CID14450375
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
SMILESCc1ccc(O)c2c1[C@H]1CCCN(C)[C@@H]1CO2
InChIInChI=1S/C14H19NO2/c1-9-5-6-12(16)14-13(9)10-4-3-7-15(2)11(10)8-17-14/h5-6,10-11,16H,3-4,7-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyLJXJXZFDHJGEBQ-WDEREUQCSA-N
XLogP2.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
The IUPAC name of (4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol (CID 14450375) is (4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol.
What is the SMILES notation for (4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
The canonical SMILES for (4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol is Cc1ccc(O)c2c1[C@H]1CCCN(C)[C@@H]1CO2.
What is the InChIKey of (4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
The InChIKey is LJXJXZFDHJGEBQ-WDEREUQCSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-5-6-12(16)14-13(9)10-4-3-7-15(2)11(10)8-17-14/h5-6,10-11,16H,3-4,7-8H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
(4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol has a molecular weight of 233.31 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10bR)-4,10-dimethyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol is sourced from PubChem (CID 14450375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).