(3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one

C10H17NO4 — CID 135050681

IUPAC(3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
SMILESCOC[C@@H]1[C@H]2OC(C)(C)O[C@H]2C(=O)N1C
InChIInChI=1S/C10H17NO4/c1-10(2)14-7-6(5-13-4)11(3)9(12)8(7)15-10/h6-8H,5H2,1-4H3/t6-,7-,8-/m1/s1
InChIKeyVNUVANRVWYOYSU-BWZBUEFSSA-N
MW215.25 g/mol
LogP-0.01
Rot. Bonds2

About (3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one

(3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one (PubChem CID 135050681) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
PubChem CID135050681
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one
SMILESCOC[C@@H]1[C@H]2OC(C)(C)O[C@H]2C(=O)N1C
InChIInChI=1S/C10H17NO4/c1-10(2)14-7-6(5-13-4)11(3)9(12)8(7)15-10/h6-8H,5H2,1-4H3/t6-,7-,8-/m1/s1
InChIKeyVNUVANRVWYOYSU-BWZBUEFSSA-N
XLogP-0.01
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
The IUPAC name of (3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one (CID 135050681) is (3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one.
What is the SMILES notation for (3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
The canonical SMILES for (3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one is COC[C@@H]1[C@H]2OC(C)(C)O[C@H]2C(=O)N1C.
What is the InChIKey of (3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
The InChIKey is VNUVANRVWYOYSU-BWZBUEFSSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2)14-7-6(5-13-4)11(3)9(12)8(7)15-10/h6-8H,5H2,1-4H3/t6-,7-,8-/m1/s1.
What are the key properties of (3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one?
(3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one has a molecular weight of 215.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-6-(methoxymethyl)-2,2,5-trimethyl-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-one is sourced from PubChem (CID 135050681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).