1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane

C9H16N2O2 — CID 142439649

IUPAC1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane
SMILESC=C1CC(=O)N(CCN)C1=O.CC
InChIInChI=1S/C7H10N2O2.C2H6/c1-5-4-6(10)9(3-2-8)7(5)11;1-2/h1-4,8H2;1-2H3
InChIKeySTLUFMUPHOWLOL-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.29
Rot. Bonds2

About 1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane

1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane (PubChem CID 142439649) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane
PubChem CID142439649
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane
SMILESC=C1CC(=O)N(CCN)C1=O.CC
InChIInChI=1S/C7H10N2O2.C2H6/c1-5-4-6(10)9(3-2-8)7(5)11;1-2/h1-4,8H2;1-2H3
InChIKeySTLUFMUPHOWLOL-UHFFFAOYSA-N
XLogP0.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-methylidene-1-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]pyrrolidine-2,5-dione
CID 165109067
N-[2-[2-aminoethyl-[2-[3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(3-methylidene-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59281651
4-(2-aminoethyl)thiomorpholine-3,5-dione
CID 104570964
1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione;propane
CID 142329747
methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
CID 162091684
3-methyl-1-[[3-[(3-methylidene-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrrole-2,5-dione
CID 101148281
2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione
CID 103429602
2-(2-aminoethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 84658476
(3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 166506249
3-methylidene-1-(3-methylidene-2,5-dioxopyrrolidin-1-yl)oxypyrrolidine-2,5-dione
CID 143820346
5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one
CID 82503163
1-pentylazetidine-2,4-dione
CID 69124184

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane?
The IUPAC name of 1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane (CID 142439649) is 1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane.
What is the SMILES notation for 1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane?
The canonical SMILES for 1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane is C=C1CC(=O)N(CCN)C1=O.CC.
What is the InChIKey of 1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane?
The InChIKey is STLUFMUPHOWLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C2H6/c1-5-4-6(10)9(3-2-8)7(5)11;1-2/h1-4,8H2;1-2H3.
What are the key properties of 1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane?
1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane has a molecular weight of 184.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane is sourced from PubChem (CID 142439649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).