1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione

C13H14N2O2 — CID 43617146

IUPAC1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C13H14N2O2/c1-9-8-12(16)15(13(9)17)11-6-4-10(5-7-11)14(2)3/h4-8H,1-3H3
InChIKeyUHYVXUPEXXWZKL-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.57
Rot. Bonds2

About 1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione

1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione (PubChem CID 43617146) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione
PubChem CID43617146
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc(N(C)C)cc2)C1=O
InChIInChI=1S/C13H14N2O2/c1-9-8-12(16)15(13(9)17)11-6-4-10(5-7-11)14(2)3/h4-8H,1-3H3
InChIKeyUHYVXUPEXXWZKL-UHFFFAOYSA-N
XLogP1.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(3-methyl-2,5-dioxopyrrol-1-yl)benzoate
CID 26580205
3-methyl-1-(4-prop-1-en-2-ylphenyl)pyrrole-2,5-dione
CID 20545219
1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione
CID 43617215
4-(3-methyl-2,5-dioxopyrrol-1-yl)benzene-1,2-dicarbonitrile
CID 114001948
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione
CID 43236256
7,18-bis[4-(dimethylamino)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 58203057
2-[4-(dimethylamino)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2865708
3-[(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzoic acid
CID 71166009
3-methyl-1-[4-(4-propylphenoxy)phenyl]pyrrole-2,5-dione
CID 158792660
1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 46894310
1-[3-[[3,5-bis(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]disulfanyl]-5-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-3-methylpyrrole-2,5-dione
CID 54501100
1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581960

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione (CID 43617146) is 1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(c2ccc(N(C)C)cc2)C1=O.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione?
The InChIKey is UHYVXUPEXXWZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-8-12(16)15(13(9)17)11-6-4-10(5-7-11)14(2)3/h4-8H,1-3H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione?
1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione has a molecular weight of 230.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 43617146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).