3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione

C12H18N2O2 — CID 106173594

IUPAC3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCCC2=CCCC2)C1=O
InChIInChI=1S/C12H18N2O2/c1-14-11(15)8-10(12(14)16)13-7-6-9-4-2-3-5-9/h4,10,13H,2-3,5-8H2,1H3
InChIKeyRDQBRAMFVGUJNB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.83
Rot. Bonds4

About 3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione

3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione (PubChem CID 106173594) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
PubChem CID106173594
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCCC2=CCCC2)C1=O
InChIInChI=1S/C12H18N2O2/c1-14-11(15)8-10(12(14)16)13-7-6-9-4-2-3-5-9/h4,10,13H,2-3,5-8H2,1H3
InChIKeyRDQBRAMFVGUJNB-UHFFFAOYSA-N
XLogP0.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.83
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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Related Compounds

3-[2-(cyclohexen-1-yl)ethylamino]-1-cyclopentylpyrrolidine-2,5-dione
CID 107851922
3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
CID 107703458
1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione
CID 63967065
1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione
CID 82942268
N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131687
N-[2-(cyclopenten-1-yl)ethyl]-1-methylpiperidin-3-amine
CID 106169620
3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione
CID 106397843
3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione
CID 61326141
N-[2-(cyclopenten-1-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 115895909
1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione
CID 13247225
1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione
CID 55153501
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106170157

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione (CID 106173594) is 3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(NCCC2=CCCC2)C1=O.
What is the InChIKey of 3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is RDQBRAMFVGUJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-11(15)8-10(12(14)16)13-7-6-9-4-2-3-5-9/h4,10,13H,2-3,5-8H2,1H3.
What are the key properties of 3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione?
3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 222.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 106173594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).