3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione

C12H20N2O2 — CID 43636704

IUPAC3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCC2CCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-2-6-14-11(15)7-10(12(14)16)13-8-9-4-3-5-9/h9-10,13H,2-8H2,1H3
InChIKeyGWEVVDGWQZJUMG-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.91
Rot. Bonds5

About 3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione

3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione (PubChem CID 43636704) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
PubChem CID43636704
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCC2CCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-2-6-14-11(15)7-10(12(14)16)13-8-9-4-3-5-9/h9-10,13H,2-8H2,1H3
InChIKeyGWEVVDGWQZJUMG-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(oxan-4-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 63726836
3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione
CID 54926953
3-[(1,1-dioxothiolan-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione
CID 54914454
1-propyl-3-(thiolan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 80584773
methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate
CID 43636164
3-(cyclooctylamino)-1-propylpyrrolidine-2,5-dione
CID 43636456
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetamide
CID 43636128
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83211649
3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 54959119
3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60923821
3-[(2-methylcyclopropyl)amino]-1-propylpyrrolidine-2,5-dione
CID 62397716
1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
CID 43638288

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione (CID 43636704) is 3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NCC2CCC2)C1=O.
What is the InChIKey of 3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione?
The InChIKey is GWEVVDGWQZJUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-6-14-11(15)7-10(12(14)16)13-8-9-4-3-5-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione?
3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 43636704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).