2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol

C9H17NO3 — CID 85271887

IUPAC2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol
SMILESCN1CC(O)C2OC(C)(C)OC2C1
InChIInChI=1S/C9H17NO3/c1-9(2)12-7-5-10(3)4-6(11)8(7)13-9/h6-8,11H,4-5H2,1-3H3
InChIKeyVCQMIZWSULPWTD-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.19
Rot. Bonds

About 2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol

2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol (PubChem CID 85271887) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol.

Molecular Properties

Compound Name2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol
PubChem CID85271887
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol
SMILESCN1CC(O)C2OC(C)(C)OC2C1
InChIInChI=1S/C9H17NO3/c1-9(2)12-7-5-10(3)4-6(11)8(7)13-9/h6-8,11H,4-5H2,1-3H3
InChIKeyVCQMIZWSULPWTD-UHFFFAOYSA-N
XLogP-0.19
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol?
The IUPAC name of 2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol (CID 85271887) is 2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol.
What is the SMILES notation for 2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol?
The canonical SMILES for 2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol is CN1CC(O)C2OC(C)(C)OC2C1.
What is the InChIKey of 2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol?
The InChIKey is VCQMIZWSULPWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2)12-7-5-10(3)4-6(11)8(7)13-9/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol?
2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol has a molecular weight of 187.24 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-ol is sourced from PubChem (CID 85271887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).