2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol

C10H19NO3 — CID 143088215

IUPAC2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol
SMILESCC1(C)OC2CCN(CCO)CC2O1
InChIInChI=1S/C10H19NO3/c1-10(2)13-8-3-4-11(5-6-12)7-9(8)14-10/h8-9,12H,3-7H2,1-2H3
InChIKeyBGZBJQIKWQADLF-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.20
Rot. Bonds2

About 2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol

2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol (PubChem CID 143088215) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol
PubChem CID143088215
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol
SMILESCC1(C)OC2CCN(CCO)CC2O1
InChIInChI=1S/C10H19NO3/c1-10(2)13-8-3-4-11(5-6-12)7-9(8)14-10/h8-9,12H,3-7H2,1-2H3
InChIKeyBGZBJQIKWQADLF-UHFFFAOYSA-N
XLogP0.20
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol?
The IUPAC name of 2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol (CID 143088215) is 2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol.
What is the SMILES notation for 2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol?
The canonical SMILES for 2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol is CC1(C)OC2CCN(CCO)CC2O1.
What is the InChIKey of 2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol?
The InChIKey is BGZBJQIKWQADLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2)13-8-3-4-11(5-6-12)7-9(8)14-10/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol?
2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol has a molecular weight of 201.27 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)ethanol is sourced from PubChem (CID 143088215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).