1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione

C14H14N2O3 — CID 170895995

IUPAC1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione
SMILESCN(C)CC(=O)c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C14H14N2O3/c1-15(2)9-12(17)10-3-5-11(6-4-10)16-13(18)7-8-14(16)19/h3-8H,9H2,1-2H3
InChIKeyNTMAXABUTOYIKF-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.86
Rot. Bonds4

About 1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione

1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione (PubChem CID 170895995) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione
PubChem CID170895995
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione
SMILESCN(C)CC(=O)c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C14H14N2O3/c1-15(2)9-12(17)10-3-5-11(6-4-10)16-13(18)7-8-14(16)19/h3-8H,9H2,1-2H3
InChIKeyNTMAXABUTOYIKF-UHFFFAOYSA-N
XLogP0.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trichostatin A
CID 444732
N-Acetylprocainamide
CID 4342
4,4'-Bis(dimethylamino)benzophenone
CID 7031
4-(Diethylamino)benzaldehyde
CID 67114
Acecainide Hydrochloride
CID 71417
4,4'-Bis(diethylamino)benzophenone
CID 66663
4-amino-N,N-diethylbenzamide
CID 458760
4-Dimethylaminochalcone
CID 5377268
4-(Dimethylamino)benzophenone
CID 10737
4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
CID 3994
N-[4-(1-oxopropyl)phenyl]acetamide
CID 85655
(-)-Trichostatin A
CID 13507024

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione (CID 170895995) is 1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione is CN(C)CC(=O)c1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione?
The InChIKey is NTMAXABUTOYIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-15(2)9-12(17)10-3-5-11(6-4-10)16-13(18)7-8-14(16)19/h3-8H,9H2,1-2H3.
What are the key properties of 1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione?
1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione has a molecular weight of 258.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 170895995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).