8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine

C15H20BrNO — CID 177207289

IUPAC8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine
SMILESCC(C)N1CCCC2COc3cc(Br)ccc3C21
InChIInChI=1S/C15H20BrNO/c1-10(2)17-7-3-4-11-9-18-14-8-12(16)5-6-13(14)15(11)17/h5-6,8,10-11,15H,3-4,7,9H2,1-2H3
InChIKeyZVRAJEGKKFEBHG-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.00
Rot. Bonds1

About 8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine

8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine (PubChem CID 177207289) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine.

Molecular Properties

Compound Name8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine
PubChem CID177207289
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine
SMILESCC(C)N1CCCC2COc3cc(Br)ccc3C21
InChIInChI=1S/C15H20BrNO/c1-10(2)17-7-3-4-11-9-18-14-8-12(16)5-6-13(14)15(11)17/h5-6,8,10-11,15H,3-4,7,9H2,1-2H3
InChIKeyZVRAJEGKKFEBHG-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine?
The IUPAC name of 8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine (CID 177207289) is 8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine.
What is the SMILES notation for 8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine?
The canonical SMILES for 8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine is CC(C)N1CCCC2COc3cc(Br)ccc3C21.
What is the InChIKey of 8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine?
The InChIKey is ZVRAJEGKKFEBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10(2)17-7-3-4-11-9-18-14-8-12(16)5-6-13(14)15(11)17/h5-6,8,10-11,15H,3-4,7,9H2,1-2H3.
What are the key properties of 8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine?
8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine has a molecular weight of 310.24 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-propan-2-yl-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b]pyridine is sourced from PubChem (CID 177207289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).