(3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine

C8H15NO2 — CID 12883267

IUPAC(3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine
SMILESCC1(C)O[C@H]2CCNC[C@H]2O1
InChIInChI=1S/C8H15NO2/c1-8(2)10-6-3-4-9-5-7(6)11-8/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyIJFIHNHBIJRZFE-NKWVEPMBSA-N
MW157.21 g/mol
LogP0.50
Rot. Bonds

About (3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine

(3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine (PubChem CID 12883267) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine.

Molecular Properties

Compound Name(3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine
PubChem CID12883267
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine
SMILESCC1(C)O[C@H]2CCNC[C@H]2O1
InChIInChI=1S/C8H15NO2/c1-8(2)10-6-3-4-9-5-7(6)11-8/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyIJFIHNHBIJRZFE-NKWVEPMBSA-N
XLogP0.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine?
The IUPAC name of (3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine (CID 12883267) is (3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine.
What is the SMILES notation for (3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine?
The canonical SMILES for (3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine is CC1(C)O[C@H]2CCNC[C@H]2O1.
What is the InChIKey of (3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine?
The InChIKey is IJFIHNHBIJRZFE-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2)10-6-3-4-9-5-7(6)11-8/h6-7,9H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine?
(3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine has a molecular weight of 157.21 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridine is sourced from PubChem (CID 12883267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).