[(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate

C12H17NO5 — CID 66687374

IUPAC[(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CC(=O)N(C2(O)CCCCC2)C1=O
InChIInChI=1S/C12H17NO5/c1-8(14)18-9-7-10(15)13(11(9)16)12(17)5-3-2-4-6-12/h9,17H,2-7H2,1H3/t9-/m1/s1
InChIKeyPWDAYZCVKKWBQX-SECBINFHSA-N
MW255.27 g/mol
LogP0.33
Rot. Bonds2

About [(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate

[(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate (PubChem CID 66687374) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is [(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate
PubChem CID66687374
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name[(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@@H]1CC(=O)N(C2(O)CCCCC2)C1=O
InChIInChI=1S/C12H17NO5/c1-8(14)18-9-7-10(15)13(11(9)16)12(17)5-3-2-4-6-12/h9,17H,2-7H2,1H3/t9-/m1/s1
InChIKeyPWDAYZCVKKWBQX-SECBINFHSA-N
XLogP0.33
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate?
The IUPAC name of [(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate (CID 66687374) is [(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate?
The canonical SMILES for [(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate is CC(=O)O[C@@H]1CC(=O)N(C2(O)CCCCC2)C1=O.
What is the InChIKey of [(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate?
The InChIKey is PWDAYZCVKKWBQX-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO5/c1-8(14)18-9-7-10(15)13(11(9)16)12(17)5-3-2-4-6-12/h9,17H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of [(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate?
[(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate has a molecular weight of 255.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(1-hydroxycyclohexyl)-2,5-dioxopyrrolidin-3-yl] acetate is sourced from PubChem (CID 66687374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).