1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione

C11H18N2O2 — CID 106188044

IUPAC1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCC=C(C)C)C1=O
InChIInChI=1S/C11H18N2O2/c1-4-13-10(14)7-9(11(13)15)12-6-5-8(2)3/h5,9,12H,4,6-7H2,1-3H3
InChIKeyPJLDAPQSRSEYHB-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.69
Rot. Bonds4

About 1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione

1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione (PubChem CID 106188044) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
PubChem CID106188044
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCC=C(C)C)C1=O
InChIInChI=1S/C11H18N2O2/c1-4-13-10(14)7-9(11(13)15)12-6-5-8(2)3/h5,9,12H,4,6-7H2,1-3H3
InChIKeyPJLDAPQSRSEYHB-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.69
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-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione (CID 106188044) is 1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione is CCN1C(=O)CC(NCC=C(C)C)C1=O.
What is the InChIKey of 1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione?
The InChIKey is PJLDAPQSRSEYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-13-10(14)7-9(11(13)15)12-6-5-8(2)3/h5,9,12H,4,6-7H2,1-3H3.
What are the key properties of 1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione?
1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione has a molecular weight of 210.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 106188044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).