1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione

C12H20N2O2 — CID 103072675

IUPAC1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESC=C(CNCC)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C12H20N2O2/c1-5-13-6-8(2)7-14-11(15)9(3)10(4)12(14)16/h9-10,13H,2,5-7H2,1,3-4H3
InChIKeyAZPOBTMCPXGCDI-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.79
Rot. Bonds5

About 1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 103072675) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID103072675
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESC=C(CNCC)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C12H20N2O2/c1-5-13-6-8(2)7-14-11(15)9(3)10(4)12(14)16/h9-10,13H,2,5-7H2,1,3-4H3
InChIKeyAZPOBTMCPXGCDI-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 103072675) is 1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione is C=C(CNCC)CN1C(=O)C(C)C(C)C1=O.
What is the InChIKey of 1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is AZPOBTMCPXGCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-13-6-8(2)7-14-11(15)9(3)10(4)12(14)16/h9-10,13H,2,5-7H2,1,3-4H3.
What are the key properties of 1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 103072675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).