1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione

C9H14N2O2 — CID 59243773

IUPAC1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione
SMILESCCN(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H14N2O2/c1-3-10(2)6-7-11-8(12)4-5-9(11)13/h4-5H,3,6-7H2,1-2H3
InChIKeyPRTUIYJNSGFDQT-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.14
Rot. Bonds4

About 1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione

1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione (PubChem CID 59243773) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione
PubChem CID59243773
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione
SMILESCCN(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H14N2O2/c1-3-10(2)6-7-11-8(12)4-5-9(11)13/h4-5H,3,6-7H2,1-2H3
InChIKeyPRTUIYJNSGFDQT-UHFFFAOYSA-N
XLogP-0.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.14
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 1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione (CID 59243773) is 1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione is CCN(C)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione?
The InChIKey is PRTUIYJNSGFDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-10(2)6-7-11-8(12)4-5-9(11)13/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione?
1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 59243773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).