2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol

C12H15NO2 — CID 67616752

IUPAC2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol
SMILESOC1=C2CNCCC2OC2CC=CC=C12
InChIInChI=1S/C12H15NO2/c14-12-8-3-1-2-4-10(8)15-11-5-6-13-7-9(11)12/h1-3,10-11,13-14H,4-7H2
InChIKeyFHUYBKDWKUSXFL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.45
Rot. Bonds

About 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol

2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol (PubChem CID 67616752) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol.

Molecular Properties

Compound Name2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol
PubChem CID67616752
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol
SMILESOC1=C2CNCCC2OC2CC=CC=C12
InChIInChI=1S/C12H15NO2/c14-12-8-3-1-2-4-10(8)15-11-5-6-13-7-9(11)12/h1-3,10-11,13-14H,4-7H2
InChIKeyFHUYBKDWKUSXFL-UHFFFAOYSA-N
XLogP1.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol?
The IUPAC name of 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol (CID 67616752) is 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol.
What is the SMILES notation for 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol?
The canonical SMILES for 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol is OC1=C2CNCCC2OC2CC=CC=C12.
What is the InChIKey of 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol?
The InChIKey is FHUYBKDWKUSXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12-8-3-1-2-4-10(8)15-11-5-6-13-7-9(11)12/h1-3,10-11,13-14H,4-7H2.
What are the key properties of 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol?
2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol has a molecular weight of 205.26 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5a,6-hexahydro-1H-chromeno[3,2-c]pyridin-10-ol is sourced from PubChem (CID 67616752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).