cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate

C19H20N2O5 — CID 178195158

IUPACcis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCC[C@H]1N1CCCC1=O
InChIInChI=1S/C19H20N2O5/c22-16-10-5-11-20(16)15-9-4-3-8-14(15)19(25)26-21-17(23)12-6-1-2-7-13(12)18(21)24/h1-2,6-7,14-15H,3-5,8-11H2/t14-,15+/m0/s1
InChIKeyMPFZWFQIFJCPHS-LSDHHAIUSA-N
MW356.38 g/mol
LogP1.92
Rot. Bonds3

About cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate

cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate (PubChem CID 178195158) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate
PubChem CID178195158
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namecis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate
SMILESO=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCC[C@H]1N1CCCC1=O
InChIInChI=1S/C19H20N2O5/c22-16-10-5-11-20(16)15-9-4-3-8-14(15)19(25)26-21-17(23)12-6-1-2-7-13(12)18(21)24/h1-2,6-7,14-15H,3-5,8-11H2/t14-,15+/m0/s1
InChIKeyMPFZWFQIFJCPHS-LSDHHAIUSA-N
XLogP1.92
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
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 cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate?
The IUPAC name of cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate (CID 178195158) is cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate?
The canonical SMILES for cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate is O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCC[C@H]1N1CCCC1=O.
What is the InChIKey of cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate?
The InChIKey is MPFZWFQIFJCPHS-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-16-10-5-11-20(16)15-9-4-3-8-14(15)19(25)26-21-17(23)12-6-1-2-7-13(12)18(21)24/h1-2,6-7,14-15H,3-5,8-11H2/t14-,15+/m0/s1.
What are the key properties of cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate?
cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 178195158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).