(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine

C16H23NO2 — CID 18603956

IUPAC(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
SMILESCCCN1CCC[C@H]2c3cc(OC)ccc3OC[C@@H]21
InChIInChI=1S/C16H23NO2/c1-3-8-17-9-4-5-13-14-10-12(18-2)6-7-16(14)19-11-15(13)17/h6-7,10,13,15H,3-5,8-9,11H2,1-2H3/t13-,15-/m0/s1
InChIKeyBYTDMYLHLQZNGX-ZFWWWQNUSA-N
MW261.37 g/mol
LogP3.05
Rot. Bonds3

About (4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine

(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine (PubChem CID 18603956) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine.

Molecular Properties

Compound Name(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
PubChem CID18603956
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
SMILESCCCN1CCC[C@H]2c3cc(OC)ccc3OC[C@@H]21
InChIInChI=1S/C16H23NO2/c1-3-8-17-9-4-5-13-14-10-12(18-2)6-7-16(14)19-11-15(13)17/h6-7,10,13,15H,3-5,8-9,11H2,1-2H3/t13-,15-/m0/s1
InChIKeyBYTDMYLHLQZNGX-ZFWWWQNUSA-N
XLogP3.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine with MolForge

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Related Compounds

(4aR,10bS)-9-phenylmethoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603943
(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride
CID 18603840
(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-8-ol
CID 14151624
(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 18603878
4-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpiperidine
CID 178102409
(3aS,9bR)-8-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 100948186
4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151617
(4aR,10bS)-7-bromo-10-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603889
3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine
CID 178102600
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
7-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]-2,3a,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
CID 123708949
9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
CID 13293117

Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine?
The IUPAC name of (4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine (CID 18603956) is (4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine.
What is the SMILES notation for (4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine?
The canonical SMILES for (4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine is CCCN1CCC[C@H]2c3cc(OC)ccc3OC[C@@H]21.
What is the InChIKey of (4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine?
The InChIKey is BYTDMYLHLQZNGX-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-8-17-9-4-5-13-14-10-12(18-2)6-7-16(14)19-11-15(13)17/h6-7,10,13,15H,3-5,8-9,11H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine?
(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine has a molecular weight of 261.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine is sourced from PubChem (CID 18603956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).