1-ethylpyrrole-2,5-dione;N-methylmethanamine

C8H14N2O2 — CID 19823900

IUPAC1-ethylpyrrole-2,5-dione;N-methylmethanamine
SMILESCCN1C(=O)C=CC1=O.CNC
InChIInChI=1S/C6H7NO2.C2H7N/c1-2-7-5(8)3-4-6(7)9;1-3-2/h3-4H,2H2,1H3;3H,1-2H3
InChIKeyCLDCEJCQRUQIFY-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.23
Rot. Bonds1

About 1-ethylpyrrole-2,5-dione;N-methylmethanamine

1-ethylpyrrole-2,5-dione;N-methylmethanamine (PubChem CID 19823900) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-ethylpyrrole-2,5-dione;N-methylmethanamine.

Molecular Properties

Compound Name1-ethylpyrrole-2,5-dione;N-methylmethanamine
PubChem CID19823900
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-ethylpyrrole-2,5-dione;N-methylmethanamine
SMILESCCN1C(=O)C=CC1=O.CNC
InChIInChI=1S/C6H7NO2.C2H7N/c1-2-7-5(8)3-4-6(7)9;1-3-2/h3-4H,2H2,1H3;3H,1-2H3
InChIKeyCLDCEJCQRUQIFY-UHFFFAOYSA-N
XLogP-0.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.23
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 1-ethylpyrrole-2,5-dione;N-methylmethanamine?
The IUPAC name of 1-ethylpyrrole-2,5-dione;N-methylmethanamine (CID 19823900) is 1-ethylpyrrole-2,5-dione;N-methylmethanamine.
What is the SMILES notation for 1-ethylpyrrole-2,5-dione;N-methylmethanamine?
The canonical SMILES for 1-ethylpyrrole-2,5-dione;N-methylmethanamine is CCN1C(=O)C=CC1=O.CNC.
What is the InChIKey of 1-ethylpyrrole-2,5-dione;N-methylmethanamine?
The InChIKey is CLDCEJCQRUQIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C2H7N/c1-2-7-5(8)3-4-6(7)9;1-3-2/h3-4H,2H2,1H3;3H,1-2H3.
What are the key properties of 1-ethylpyrrole-2,5-dione;N-methylmethanamine?
1-ethylpyrrole-2,5-dione;N-methylmethanamine has a molecular weight of 170.21 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrole-2,5-dione;N-methylmethanamine is sourced from PubChem (CID 19823900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).