cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione

C10H15NO5 — CID 68845454

IUPACcyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione
SMILESO=C(O)OC1CCCC1.O=C1CCC(=O)N1
InChIInChI=1S/C6H10O3.C4H5NO2/c7-6(8)9-5-3-1-2-4-5;6-3-1-2-4(7)5-3/h5H,1-4H2,(H,7,8);1-2H2,(H,5,6,7)
InChIKeyVEMZCQFHKZWMOY-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.05
Rot. Bonds1

About cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione

cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione (PubChem CID 68845454) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione.

Molecular Properties

Compound Namecyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione
PubChem CID68845454
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namecyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione
SMILESO=C(O)OC1CCCC1.O=C1CCC(=O)N1
InChIInChI=1S/C6H10O3.C4H5NO2/c7-6(8)9-5-3-1-2-4-5;6-3-1-2-4(7)5-3/h5H,1-4H2,(H,7,8);1-2H2,(H,5,6,7)
InChIKeyVEMZCQFHKZWMOY-UHFFFAOYSA-N
XLogP1.05
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cycloheptyl hydrogen carbonate
CID 23179405
azane;cyclohexyl hydrogen carbonate
CID 67723937
cyclohexyl hydrogen carbonate;iodomethane
CID 174434119
cyclopentyl hydrogen carbonate;oxolane
CID 175213240
oxalic acid;bis(pyrrolidine-2,5-dione)
CID 175829217
CID 157384744
CID 157384744
cyclohexyloxybenzene;methanol;piperidine-2,6-dione
CID 172630786
CID 70395227
CID 70395227
hydron;pyrrolidine-2,5-dione
CID 174652792
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
[(1S,2R)-2-carboxyoxycyclohexyl] hydrogen carbonate
CID 57178626

Frequently Asked Questions

What is the IUPAC name of cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione?
The IUPAC name of cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione (CID 68845454) is cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione.
What is the SMILES notation for cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione?
The canonical SMILES for cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione is O=C(O)OC1CCCC1.O=C1CCC(=O)N1.
What is the InChIKey of cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione?
The InChIKey is VEMZCQFHKZWMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H5NO2/c7-6(8)9-5-3-1-2-4-5;6-3-1-2-4(7)5-3/h5H,1-4H2,(H,7,8);1-2H2,(H,5,6,7).
What are the key properties of cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione?
cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione has a molecular weight of 229.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione is sourced from PubChem (CID 68845454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).