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

C11H21NO3 — CID 67523864

IUPAC1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol
SMILESCC(O)CN1CCC2OC(C)(C)O[C@@H]2C1
InChIInChI=1S/C11H21NO3/c1-8(13)6-12-5-4-9-10(7-12)15-11(2,3)14-9/h8-10,13H,4-7H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyQRUDOMCYYWZGDT-UDNWOFFPSA-N
MW215.29 g/mol
LogP0.59
Rot. Bonds2

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

1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol (PubChem CID 67523864) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol
PubChem CID67523864
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol
SMILESCC(O)CN1CCC2OC(C)(C)O[C@@H]2C1
InChIInChI=1S/C11H21NO3/c1-8(13)6-12-5-4-9-10(7-12)15-11(2,3)14-9/h8-10,13H,4-7H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyQRUDOMCYYWZGDT-UDNWOFFPSA-N
XLogP0.59
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol?
The IUPAC name of 1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol (CID 67523864) is 1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol.
What is the SMILES notation for 1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol?
The canonical SMILES for 1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol is CC(O)CN1CCC2OC(C)(C)O[C@@H]2C1.
What is the InChIKey of 1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol?
The InChIKey is QRUDOMCYYWZGDT-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(13)6-12-5-4-9-10(7-12)15-11(2,3)14-9/h8-10,13H,4-7H2,1-3H3/t8?,9?,10-/m1/s1.
What are the key properties of 1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol?
1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol has a molecular weight of 215.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl]propan-2-ol is sourced from PubChem (CID 67523864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).