(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol

C16H23NO2 — CID 18611368

IUPAC(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
SMILESCCCCN1CCC[C@H]2c3cccc(O)c3OC[C@@H]21
InChIInChI=1S/C16H23NO2/c1-2-3-9-17-10-5-7-12-13-6-4-8-15(18)16(13)19-11-14(12)17/h4,6,8,12,14,18H,2-3,5,7,9-11H2,1H3/t12-,14-/m0/s1
InChIKeyHBUXLNNWKYJTIE-JSGCOSHPSA-N
MW261.36 g/mol
LogP3.13
Rot. Bonds3

About (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol

(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol (PubChem CID 18611368) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol.

Molecular Properties

Compound Name(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
PubChem CID18611368
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
SMILESCCCCN1CCC[C@H]2c3cccc(O)c3OC[C@@H]21
InChIInChI=1S/C16H23NO2/c1-2-3-9-17-10-5-7-12-13-6-4-8-15(18)16(13)19-11-14(12)17/h4,6,8,12,14,18H,2-3,5,7,9-11H2,1H3/t12-,14-/m0/s1
InChIKeyHBUXLNNWKYJTIE-JSGCOSHPSA-N
XLogP3.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol with MolForge

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Related Compounds

(4aR,10bR)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 14151592
(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 14151659
(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 18603878
4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151617
[(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-yl] benzoate
CID 14151636
(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-8-ol
CID 14151624
(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol;hydrochloride
CID 18603840
(4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 18603900
(4aR,10bS)-7-bromo-10-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603889
(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603956
(4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol
CID 14151587
4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol
CID 14039992

Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
The IUPAC name of (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol (CID 18611368) is (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol.
What is the SMILES notation for (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
The canonical SMILES for (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol is CCCCN1CCC[C@H]2c3cccc(O)c3OC[C@@H]21.
What is the InChIKey of (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
The InChIKey is HBUXLNNWKYJTIE-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-9-17-10-5-7-12-13-6-4-8-15(18)16(13)19-11-14(12)17/h4,6,8,12,14,18H,2-3,5,7,9-11H2,1H3/t12-,14-/m0/s1.
What are the key properties of (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol has a molecular weight of 261.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol is sourced from PubChem (CID 18611368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).