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

C12H23NO3 — CID 66841570

IUPAC1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol
SMILESCC(O)CN1CC(C)C2OC(C)(C)OC2C1
InChIInChI=1S/C12H23NO3/c1-8-5-13(6-9(2)14)7-10-11(8)16-12(3,4)15-10/h8-11,14H,5-7H2,1-4H3
InChIKeySNUAWTJFYJCOOF-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.84
Rot. Bonds2

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

1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol (PubChem CID 66841570) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol
PubChem CID66841570
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol
SMILESCC(O)CN1CC(C)C2OC(C)(C)OC2C1
InChIInChI=1S/C12H23NO3/c1-8-5-13(6-9(2)14)7-10-11(8)16-12(3,4)15-10/h8-11,14H,5-7H2,1-4H3
InChIKeySNUAWTJFYJCOOF-UHFFFAOYSA-N
XLogP0.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol?
The IUPAC name of 1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol (CID 66841570) is 1-(2,2,7-trimethyl-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-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol?
The canonical SMILES for 1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol is CC(O)CN1CC(C)C2OC(C)(C)OC2C1.
What is the InChIKey of 1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol?
The InChIKey is SNUAWTJFYJCOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8-5-13(6-9(2)14)7-10-11(8)16-12(3,4)15-10/h8-11,14H,5-7H2,1-4H3.
What are the key properties of 1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol?
1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol has a molecular weight of 229.32 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-5-yl)propan-2-ol is sourced from PubChem (CID 66841570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).