3-[2-(diethylamino)ethyl]pyrrole-2,5-dione

C10H16N2O2 — CID 66615989

IUPAC3-[2-(diethylamino)ethyl]pyrrole-2,5-dione
SMILESCCN(CC)CCC1=CC(=O)NC1=O
InChIInChI=1S/C10H16N2O2/c1-3-12(4-2)6-5-8-7-9(13)11-10(8)14/h7H,3-6H2,1-2H3,(H,11,13,14)
InChIKeyNKUASKXGXGLUDE-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.30
Rot. Bonds5

About 3-[2-(diethylamino)ethyl]pyrrole-2,5-dione

3-[2-(diethylamino)ethyl]pyrrole-2,5-dione (PubChem CID 66615989) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]pyrrole-2,5-dione
PubChem CID66615989
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-[2-(diethylamino)ethyl]pyrrole-2,5-dione
SMILESCCN(CC)CCC1=CC(=O)NC1=O
InChIInChI=1S/C10H16N2O2/c1-3-12(4-2)6-5-8-7-9(13)11-10(8)14/h7H,3-6H2,1-2H3,(H,11,13,14)
InChIKeyNKUASKXGXGLUDE-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
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 3-[2-(diethylamino)ethyl]pyrrole-2,5-dione?
The IUPAC name of 3-[2-(diethylamino)ethyl]pyrrole-2,5-dione (CID 66615989) is 3-[2-(diethylamino)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[2-(diethylamino)ethyl]pyrrole-2,5-dione is CCN(CC)CCC1=CC(=O)NC1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]pyrrole-2,5-dione?
The InChIKey is NKUASKXGXGLUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-12(4-2)6-5-8-7-9(13)11-10(8)14/h7H,3-6H2,1-2H3,(H,11,13,14).
What are the key properties of 3-[2-(diethylamino)ethyl]pyrrole-2,5-dione?
3-[2-(diethylamino)ethyl]pyrrole-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 66615989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).