1-(2-amino-2-phenylethyl)pyrrole-2,5-dione

C12H12N2O2 — CID 63120892

IUPAC1-(2-amino-2-phenylethyl)pyrrole-2,5-dione
SMILESNC(CN1C(=O)C=CC1=O)c1ccccc1
InChIInChI=1S/C12H12N2O2/c13-10(9-4-2-1-3-5-9)8-14-11(15)6-7-12(14)16/h1-7,10H,8,13H2
InChIKeyPQOHXQGLYJPMDT-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.61
Rot. Bonds3

About 1-(2-amino-2-phenylethyl)pyrrole-2,5-dione

1-(2-amino-2-phenylethyl)pyrrole-2,5-dione (PubChem CID 63120892) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(2-amino-2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-2-phenylethyl)pyrrole-2,5-dione
PubChem CID63120892
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(2-amino-2-phenylethyl)pyrrole-2,5-dione
SMILESNC(CN1C(=O)C=CC1=O)c1ccccc1
InChIInChI=1S/C12H12N2O2/c13-10(9-4-2-1-3-5-9)8-14-11(15)6-7-12(14)16/h1-7,10H,8,13H2
InChIKeyPQOHXQGLYJPMDT-UHFFFAOYSA-N
XLogP0.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.61
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

4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione
CID 113427947
2-(2-amino-2-phenylethyl)-3-methylideneisoindol-1-one
CID 63120879
4-(2-amino-2-phenylethyl)-1,2,4-triazolidine-3,5-dione
CID 107410015
1-[2-(diethylamino)-2-phenylethyl]pyrrole-2,5-dione
CID 43198810
1-(2-amino-2-phenylethyl)pyridin-2-one
CID 16783269
1-(2-amino-2-phenylethyl)pyridin-2-one;hydrochloride
CID 91662965
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one
CID 114760507
3-[(2R)-2-amino-2-phenylethyl]-1,3-thiazolidin-2-one;3-[(2S)-2-amino-2-phenylethyl]-1,3-thiazolidin-2-one
CID 76964990
benzhydryl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 101006718
1-(3-amino-3-phenylpropyl)azepane-2,7-dione
CID 80507605
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-amino-2-phenylethyl)pyrrole-2,5-dione (CID 63120892) is 1-(2-amino-2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-amino-2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-amino-2-phenylethyl)pyrrole-2,5-dione is NC(CN1C(=O)C=CC1=O)c1ccccc1.
What is the InChIKey of 1-(2-amino-2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is PQOHXQGLYJPMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-10(9-4-2-1-3-5-9)8-14-11(15)6-7-12(14)16/h1-7,10H,8,13H2.
What are the key properties of 1-(2-amino-2-phenylethyl)pyrrole-2,5-dione?
1-(2-amino-2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 216.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 63120892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).