6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one

C11H17NO4 — CID 68574024

IUPAC6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one
SMILESCC1(C)OC2C(=O)N3C(CO)CCC3C2O1
InChIInChI=1S/C11H17NO4/c1-11(2)15-8-7-4-3-6(5-13)12(7)10(14)9(8)16-11/h6-9,13H,3-5H2,1-2H3
InChIKeyNMMNPFXOZUCGFD-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.13
Rot. Bonds1

About 6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one

6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one (PubChem CID 68574024) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one
PubChem CID68574024
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one
SMILESCC1(C)OC2C(=O)N3C(CO)CCC3C2O1
InChIInChI=1S/C11H17NO4/c1-11(2)15-8-7-4-3-6(5-13)12(7)10(14)9(8)16-11/h6-9,13H,3-5H2,1-2H3
InChIKeyNMMNPFXOZUCGFD-UHFFFAOYSA-N
XLogP-0.13
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one?
The IUPAC name of 6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one (CID 68574024) is 6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one.
What is the SMILES notation for 6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one?
The canonical SMILES for 6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one is CC1(C)OC2C(=O)N3C(CO)CCC3C2O1.
What is the InChIKey of 6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one?
The InChIKey is NMMNPFXOZUCGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-11(2)15-8-7-4-3-6(5-13)12(7)10(14)9(8)16-11/h6-9,13H,3-5H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one?
6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one has a molecular weight of 227.26 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2,2-dimethyl-3a,6,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-4-one is sourced from PubChem (CID 68574024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).