1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione

C13H17NO6 — CID 101157560

IUPAC1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione
SMILESCC1(C)O[C@H]2[C@H](O1)[C@H]1CO[C@H](O1)[C@H]2N1C(=O)CCC1=O
InChIInChI=1S/C13H17NO6/c1-13(2)19-10-6-5-17-12(18-6)9(11(10)20-13)14-7(15)3-4-8(14)16/h6,9-12H,3-5H2,1-2H3/t6-,9+,10-,11-,12-/m1/s1
InChIKeyQDNOUIWCFKVCHW-YKWXUGINSA-N
MW283.28 g/mol
LogP-0.22
Rot. Bonds1

About 1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione

1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione (PubChem CID 101157560) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione
PubChem CID101157560
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione
SMILESCC1(C)O[C@H]2[C@H](O1)[C@H]1CO[C@H](O1)[C@H]2N1C(=O)CCC1=O
InChIInChI=1S/C13H17NO6/c1-13(2)19-10-6-5-17-12(18-6)9(11(10)20-13)14-7(15)3-4-8(14)16/h6,9-12H,3-5H2,1-2H3/t6-,9+,10-,11-,12-/m1/s1
InChIKeyQDNOUIWCFKVCHW-YKWXUGINSA-N
XLogP-0.22
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

(1S,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
CID 98453372
(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
CID 10465447
7-methoxy-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecane
CID 533685
(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134854494
[(1R,2S,6S,7R,8S)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl] benzoate
CID 23327283
4,4-dimethyl-3,5,9,14,21,26,28,29-octaoxatetracyclo[23.2.1.17,10.02,6]nonacosane-13,22-dione
CID 58219236
(4,4-dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl)oxy-trimethylsilane
CID 91696465
(1R,9R)-11,11-dimethyl-3,5,7,10,12-pentaoxa-4λ4-thiatricyclo[7.3.0.02,6]dodecane 4-oxide
CID 134986662
4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 73042620
(3aS,4R)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 130231338
(1S,2S,6S,7S)-4,4-dimethyl-3,5,11-trioxa-9-azatricyclo[5.3.1.02,6]undecan-8-one
CID 15459905
1-(1-hydroxy-2,2,3,5,6,6-hexamethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 22973498

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione (CID 101157560) is 1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione is CC1(C)O[C@H]2[C@H](O1)[C@H]1CO[C@H](O1)[C@H]2N1C(=O)CCC1=O.
What is the InChIKey of 1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione?
The InChIKey is QDNOUIWCFKVCHW-YKWXUGINSA-N. The full InChI is InChI=1S/C13H17NO6/c1-13(2)19-10-6-5-17-12(18-6)9(11(10)20-13)14-7(15)3-4-8(14)16/h6,9-12H,3-5H2,1-2H3/t6-,9+,10-,11-,12-/m1/s1.
What are the key properties of 1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione?
1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione has a molecular weight of 283.28 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 101157560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).