3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol

C11H15NO3 — CID 5075080

IUPAC3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol
SMILESCc1ncc2c(c1O)COC(C)(C)OC2
InChIInChI=1S/C11H15NO3/c1-7-10(13)9-6-15-11(2,3)14-5-8(9)4-12-7/h4,13H,5-6H2,1-3H3
InChIKeyIZVVKJQFQHPAHG-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.88
Rot. Bonds

About 3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol

3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol (PubChem CID 5075080) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol.

Molecular Properties

Compound Name3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol
PubChem CID5075080
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol
SMILESCc1ncc2c(c1O)COC(C)(C)OC2
InChIInChI=1S/C11H15NO3/c1-7-10(13)9-6-15-11(2,3)14-5-8(9)4-12-7/h4,13H,5-6H2,1-3H3
InChIKeyIZVVKJQFQHPAHG-UHFFFAOYSA-N
XLogP1.88
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol?
The IUPAC name of 3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol (CID 5075080) is 3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol.
What is the SMILES notation for 3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol?
The canonical SMILES for 3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol is Cc1ncc2c(c1O)COC(C)(C)OC2.
What is the InChIKey of 3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol?
The InChIKey is IZVVKJQFQHPAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-10(13)9-6-15-11(2,3)14-5-8(9)4-12-7/h4,13H,5-6H2,1-3H3.
What are the key properties of 3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol?
3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol has a molecular weight of 209.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridin-9-ol is sourced from PubChem (CID 5075080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).