1,3-dioxolan-2-one;pyrrolidine-2,5-dione

C7H9NO5 — CID 66849817

IUPAC1,3-dioxolan-2-one;pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1.O=C1OCCO1
InChIInChI=1S/C4H5NO2.C3H4O3/c6-3-1-2-4(7)5-3;4-3-5-1-2-6-3/h1-2H2,(H,5,6,7);1-2H2
InChIKeyHXNDLUWXEVKDTC-UHFFFAOYSA-N
MW187.15 g/mol
LogP-0.42
Rot. Bonds

About 1,3-dioxolan-2-one;pyrrolidine-2,5-dione

1,3-dioxolan-2-one;pyrrolidine-2,5-dione (PubChem CID 66849817) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1,3-dioxolan-2-one;pyrrolidine-2,5-dione
PubChem CID66849817
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name1,3-dioxolan-2-one;pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1.O=C1OCCO1
InChIInChI=1S/C4H5NO2.C3H4O3/c6-3-1-2-4(7)5-3;4-3-5-1-2-6-3/h1-2H2,(H,5,6,7);1-2H2
InChIKeyHXNDLUWXEVKDTC-UHFFFAOYSA-N
XLogP-0.42
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-0.42
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 1,3-dioxolan-2-one;pyrrolidine-2,5-dione?
The IUPAC name of 1,3-dioxolan-2-one;pyrrolidine-2,5-dione (CID 66849817) is 1,3-dioxolan-2-one;pyrrolidine-2,5-dione.
What is the SMILES notation for 1,3-dioxolan-2-one;pyrrolidine-2,5-dione?
The canonical SMILES for 1,3-dioxolan-2-one;pyrrolidine-2,5-dione is O=C1CCC(=O)N1.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-one;pyrrolidine-2,5-dione?
The InChIKey is HXNDLUWXEVKDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C3H4O3/c6-3-1-2-4(7)5-3;4-3-5-1-2-6-3/h1-2H2,(H,5,6,7);1-2H2.
What are the key properties of 1,3-dioxolan-2-one;pyrrolidine-2,5-dione?
1,3-dioxolan-2-one;pyrrolidine-2,5-dione has a molecular weight of 187.15 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;pyrrolidine-2,5-dione is sourced from PubChem (CID 66849817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).