1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione

C14H13NO2 — CID 43236256

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C14H13NO2/c1-9-7-13(16)15(14(9)17)12-6-5-10-3-2-4-11(10)8-12/h5-8H,2-4H2,1H3
InChIKeyDUSLBMADRQCXFZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.99
Rot. Bonds1

About 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione

1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione (PubChem CID 43236256) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione
PubChem CID43236256
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc3c(c2)CCC3)C1=O
InChIInChI=1S/C14H13NO2/c1-9-7-13(16)15(14(9)17)12-6-5-10-3-2-4-11(10)8-12/h5-8H,2-4H2,1H3
InChIKeyDUSLBMADRQCXFZ-UHFFFAOYSA-N
XLogP1.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Acetylaminofluorene
CID 5897
Hydroxyacetylaminofluorene
CID 5896
N-(4-Methylphenyl)maleimide
CID 15399
N-2-Tolylmaleimide
CID 19989
1-(naphthalen-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 243251
1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione
CID 93153
1-(1,1'-Biphenyl)-4-yl-1H-pyrrole-2,5-dione
CID 42797
N1-(1-oxo-2,3-dihydro-1H-inden-5-yl)acetamide
CID 312894
N-(4-Ethylphenyl)maleimide
CID 522624
N-(2-Ethylphenyl)maleimide
CID 704937
1-(3,5-Dimethylphenyl)-1H-pyrrole-2,5-dione
CID 243574
1-(3-Methylphenyl)-1h-pyrrole-2,5-dione
CID 247652

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione (CID 43236256) is 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(c2ccc3c(c2)CCC3)C1=O.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione?
The InChIKey is DUSLBMADRQCXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9-7-13(16)15(14(9)17)12-6-5-10-3-2-4-11(10)8-12/h5-8H,2-4H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione?
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione has a molecular weight of 227.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 43236256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).