3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione

C12H14N2O4 — CID 82159648

IUPAC3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)CC(N)C2=O)c1
InChIInChI=1S/C12H14N2O4/c1-17-7-3-4-10(18-2)9(5-7)14-11(15)6-8(13)12(14)16/h3-5,8H,6,13H2,1-2H3
InChIKeyGRPUTEYQNKCMHN-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.29
Rot. Bonds3

About 3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione

3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 82159648) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID82159648
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(OC)c(N2C(=O)CC(N)C2=O)c1
InChIInChI=1S/C12H14N2O4/c1-17-7-3-4-10(18-2)9(5-7)14-11(15)6-8(13)12(14)16/h3-5,8H,6,13H2,1-2H3
InChIKeyGRPUTEYQNKCMHN-UHFFFAOYSA-N
XLogP0.29
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(2,4-dimethoxyphenyl)piperidine-2,6-dione
CID 82160067
1-(2,5-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 3729955
(1S,2R,6R,7S)-4-(2,5-dimethoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98477124
(1S,2S,6S,7S)-4-(2,5-dimethoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306131
ethyl 1-[(3S)-1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 29101454
3-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 2891000
N'-acetyl-N'-[1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzohydrazide
CID 5019234
(1R,2R,6R,7R)-4-(2,5-dimethoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98762580
(3S)-1-(2,5-dimethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
CID 1395428
ethyl (3S)-1-[(3S)-1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 124769337
1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione (CID 82159648) is 3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(OC)c(N2C(=O)CC(N)C2=O)c1.
What is the InChIKey of 3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is GRPUTEYQNKCMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-17-7-3-4-10(18-2)9(5-7)14-11(15)6-8(13)12(14)16/h3-5,8H,6,13H2,1-2H3.
What are the key properties of 3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione?
3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 250.25 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dimethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 82159648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).