3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione

C12H16N2O3 — CID 43636084

IUPAC3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCc2ccco2)C1=O
InChIInChI=1S/C12H16N2O3/c1-2-5-14-11(15)7-10(12(14)16)13-8-9-4-3-6-17-9/h3-4,6,10,13H,2,5,7-8H2,1H3
InChIKeyZJWRXESSRCEDAZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.91
Rot. Bonds5

About 3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione

3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione (PubChem CID 43636084) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
PubChem CID43636084
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCc2ccco2)C1=O
InChIInChI=1S/C12H16N2O3/c1-2-5-14-11(15)7-10(12(14)16)13-8-9-4-3-6-17-9/h3-4,6,10,13H,2,5,7-8H2,1H3
InChIKeyZJWRXESSRCEDAZ-UHFFFAOYSA-N
XLogP0.91
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(furan-2-ylmethylamino)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 725535
1-propyl-3-(pyridin-2-ylmethylamino)pyrrolidine-2,5-dione
CID 43636248
1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione
CID 62524032
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrrolidine-2,5-dione
CID 61280821
3-(1H-imidazol-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 64532404
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetamide
CID 43636128
3-(oxan-4-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 63726836
(3R)-1-[4-[chloro(difluoro)methoxy]phenyl]-3-(furan-2-ylmethylamino)pyrrolidine-2,5-dione
CID 1255523
1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione
CID 62809172
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83211649
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-6-fluorobenzonitrile
CID 43636859
1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
CID 54973475

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione (CID 43636084) is 3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NCc2ccco2)C1=O.
What is the InChIKey of 3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione?
The InChIKey is ZJWRXESSRCEDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-5-14-11(15)7-10(12(14)16)13-8-9-4-3-6-17-9/h3-4,6,10,13H,2,5,7-8H2,1H3.
What are the key properties of 3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione?
3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylamino)-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 43636084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).