(4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol

C16H23NO2 — CID 18603900

IUPAC(4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
SMILESCCCc1ccc2c(c1O)OC[C@H]1[C@H]2CCCN1C
InChIInChI=1S/C16H23NO2/c1-3-5-11-7-8-13-12-6-4-9-17(2)14(12)10-19-16(13)15(11)18/h7-8,12,14,18H,3-6,9-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyLWCLQVLJVRPCSU-JSGCOSHPSA-N
MW261.36 g/mol
LogP2.91
Rot. Bonds2

About (4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol

(4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol (PubChem CID 18603900) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol.

Molecular Properties

Compound Name(4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
PubChem CID18603900
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
SMILESCCCc1ccc2c(c1O)OC[C@H]1[C@H]2CCCN1C
InChIInChI=1S/C16H23NO2/c1-3-5-11-7-8-13-12-6-4-9-17(2)14(12)10-19-16(13)15(11)18/h7-8,12,14,18H,3-6,9-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyLWCLQVLJVRPCSU-JSGCOSHPSA-N
XLogP2.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
The IUPAC name of (4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol (CID 18603900) is (4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol.
What is the SMILES notation for (4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
The canonical SMILES for (4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol is CCCc1ccc2c(c1O)OC[C@H]1[C@H]2CCCN1C.
What is the InChIKey of (4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
The InChIKey is LWCLQVLJVRPCSU-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-5-11-7-8-13-12-6-4-9-17(2)14(12)10-19-16(13)15(11)18/h7-8,12,14,18H,3-6,9-10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol?
(4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol has a molecular weight of 261.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-4-methyl-8-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol is sourced from PubChem (CID 18603900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).