3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C13H15N3O4 — CID 97126401

IUPAC3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC(=O)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C13H15N3O4/c17-11-7-14-13(19)16(11)8-12(18)15-5-1-3-9(15)10-4-2-6-20-10/h2,4,6,9H,1,3,5,7-8H2,(H,14,19)/t9-/m0/s1
InChIKeyGSERQUDGYRGWFU-VIFPVBQESA-N
MW277.28 g/mol
LogP0.49
Rot. Bonds3

About 3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 97126401) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID97126401
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CC(=O)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C13H15N3O4/c17-11-7-14-13(19)16(11)8-12(18)15-5-1-3-9(15)10-4-2-6-20-10/h2,4,6,9H,1,3,5,7-8H2,(H,14,19)/t9-/m0/s1
InChIKeyGSERQUDGYRGWFU-VIFPVBQESA-N
XLogP0.49
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 72876827
5,5-diethyl-3-[2-[2-(furan-2-yl)azepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 139002491
3-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95603142
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
3-[2-oxo-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 70726934
(2R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922024
4-[3-[2-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]benzoic acid
CID 75516621
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 51550766
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 51346068
2-(3,4-dimethoxyphenyl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 20895626

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 97126401) is 3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CC(=O)N1CCC[C@H]1c1ccco1.
What is the InChIKey of 3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is GSERQUDGYRGWFU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N3O4/c17-11-7-14-13(19)16(11)8-12(18)15-5-1-3-9(15)10-4-2-6-20-10/h2,4,6,9H,1,3,5,7-8H2,(H,14,19)/t9-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 277.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97126401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).