1-[2-(ethylamino)acetyl]pyrrole-2,5-dione

C8H10N2O3 — CID 18967970

IUPAC1-[2-(ethylamino)acetyl]pyrrole-2,5-dione
SMILESCCNCC(=O)N1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O3/c1-2-9-5-8(13)10-6(11)3-4-7(10)12/h3-4,9H,2,5H2,1H3
InChIKeyLFZHFYHOERBFLZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.95
Rot. Bonds3

About 1-[2-(ethylamino)acetyl]pyrrole-2,5-dione

1-[2-(ethylamino)acetyl]pyrrole-2,5-dione (PubChem CID 18967970) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-[2-(ethylamino)acetyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(ethylamino)acetyl]pyrrole-2,5-dione
PubChem CID18967970
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-[2-(ethylamino)acetyl]pyrrole-2,5-dione
SMILESCCNCC(=O)N1C(=O)C=CC1=O
InChIInChI=1S/C8H10N2O3/c1-2-9-5-8(13)10-6(11)3-4-7(10)12/h3-4,9H,2,5H2,1H3
InChIKeyLFZHFYHOERBFLZ-UHFFFAOYSA-N
XLogP-0.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(ethylamino)acetyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(ethylamino)acetyl]pyrrole-2,5-dione (CID 18967970) is 1-[2-(ethylamino)acetyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(ethylamino)acetyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(ethylamino)acetyl]pyrrole-2,5-dione is CCNCC(=O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(ethylamino)acetyl]pyrrole-2,5-dione?
The InChIKey is LFZHFYHOERBFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-9-5-8(13)10-6(11)3-4-7(10)12/h3-4,9H,2,5H2,1H3.
What are the key properties of 1-[2-(ethylamino)acetyl]pyrrole-2,5-dione?
1-[2-(ethylamino)acetyl]pyrrole-2,5-dione has a molecular weight of 182.18 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)acetyl]pyrrole-2,5-dione is sourced from PubChem (CID 18967970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).