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

C18H23NO5 — CID 67342293

IUPAC8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one
SMILESCC1(C)OC2C(O1)C1C(O)CC(=O)N1C2COCc1ccccc1
InChIInChI=1S/C18H23NO5/c1-18(2)23-16-12(10-22-9-11-6-4-3-5-7-11)19-14(21)8-13(20)15(19)17(16)24-18/h3-7,12-13,15-17,20H,8-10H2,1-2H3
InChIKeyFDGIUBJUMRYHPS-UHFFFAOYSA-N
MW333.38 g/mol
LogP1.07
Rot. Bonds4

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

8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one (PubChem CID 67342293) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one.

Molecular Properties

Compound Name8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one
PubChem CID67342293
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one
SMILESCC1(C)OC2C(O1)C1C(O)CC(=O)N1C2COCc1ccccc1
InChIInChI=1S/C18H23NO5/c1-18(2)23-16-12(10-22-9-11-6-4-3-5-7-11)19-14(21)8-13(20)15(19)17(16)24-18/h3-7,12-13,15-17,20H,8-10H2,1-2H3
InChIKeyFDGIUBJUMRYHPS-UHFFFAOYSA-N
XLogP1.07
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one?
The IUPAC name of 8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one (CID 67342293) is 8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one.
What is the SMILES notation for 8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one?
The canonical SMILES for 8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one is CC1(C)OC2C(O1)C1C(O)CC(=O)N1C2COCc1ccccc1.
What is the InChIKey of 8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one?
The InChIKey is FDGIUBJUMRYHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-18(2)23-16-12(10-22-9-11-6-4-3-5-7-11)19-14(21)8-13(20)15(19)17(16)24-18/h3-7,12-13,15-17,20H,8-10H2,1-2H3.
What are the key properties of 8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one?
8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one has a molecular weight of 333.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,2-dimethyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one is sourced from PubChem (CID 67342293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).