ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione

C11H19NO3 — CID 145339436

IUPACethane;1-(3-oxopentyl)pyrrolidine-2,5-dione
SMILESCC.CCC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C9H13NO3.C2H6/c1-2-7(11)5-6-10-8(12)3-4-9(10)13;1-2/h2-6H2,1H3;1-2H3
InChIKeyLPXLVXFIGMWJJC-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.53
Rot. Bonds4

About ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione

ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione (PubChem CID 145339436) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;1-(3-oxopentyl)pyrrolidine-2,5-dione
PubChem CID145339436
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethane;1-(3-oxopentyl)pyrrolidine-2,5-dione
SMILESCC.CCC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C9H13NO3.C2H6/c1-2-7(11)5-6-10-8(12)3-4-9(10)13;1-2/h2-6H2,1H3;1-2H3
InChIKeyLPXLVXFIGMWJJC-UHFFFAOYSA-N
XLogP1.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione?
The IUPAC name of ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione (CID 145339436) is ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione?
The canonical SMILES for ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione is CC.CCC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione?
The InChIKey is LPXLVXFIGMWJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3.C2H6/c1-2-7(11)5-6-10-8(12)3-4-9(10)13;1-2/h2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione?
ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 145339436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).