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'}

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Related Compounds

1-[4-(2-hydroxyacetyl)phenyl]pyrrole-2,5-dione
CID 86218281
1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride
CID 170896135
dimethyltin(2+);bis(4-(2,5-dioxopyrrol-1-yl)benzoate)
CID 25242597
2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone
CID 55296835
1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one
CID 21490372
2-(dimethylamino)-1-(4-phenylphenyl)ethanone
CID 768313
1-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyrrole-2,5-dione
CID 4124115
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyrrole-2,5-dione
CID 6015796
2-(dimethylamino)-1-(4-phenylphenyl)ethanone;hydrochloride
CID 117066734
2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone
CID 170896030
N-(2-bromoethyl)-4-(2,5-dioxopyrrol-1-yl)benzamide
CID 118474719
1-[4-[4-(2,5-dioxopyrrol-1-yl)benzoyl]phenyl]pyrrole-2,5-dione;1-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]pyrrole-2,5-dione
CID 159560658

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).