1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione

C17H22N2O2 — CID 107851903

IUPAC1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NC2Cc3ccccc3C2)C1=O
InChIInChI=1S/C17H22N2O2/c1-3-11(2)19-16(20)10-15(17(19)21)18-14-8-12-6-4-5-7-13(12)9-14/h4-7,11,14-15,18H,3,8-10H2,1-2H3
InChIKeyIDFTZFXACVOTMM-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.67
Rot. Bonds4

About 1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione

1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione (PubChem CID 107851903) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione
PubChem CID107851903
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NC2Cc3ccccc3C2)C1=O
InChIInChI=1S/C17H22N2O2/c1-3-11(2)19-16(20)10-15(17(19)21)18-14-8-12-6-4-5-7-13(12)9-14/h4-7,11,14-15,18H,3,8-10H2,1-2H3
InChIKeyIDFTZFXACVOTMM-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.67
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

1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 43638139
1-butan-2-yl-3-[(2,2-dimethyloxan-4-yl)amino]pyrrolidine-2,5-dione
CID 83033573
1-butan-2-yl-3-(1-methylsulfanylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 113472748
1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione
CID 83014747
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 17078305
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
CID 43638129
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292
3-(3-bromo-2-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107633469
3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
CID 60779664
3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107598669
1-butan-2-yl-3-(pyridazin-3-ylmethylamino)pyrrolidine-2,5-dione
CID 106895511

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione (CID 107851903) is 1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NC2Cc3ccccc3C2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione?
The InChIKey is IDFTZFXACVOTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-11(2)19-16(20)10-15(17(19)21)18-14-8-12-6-4-5-7-13(12)9-14/h4-7,11,14-15,18H,3,8-10H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione?
1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 107851903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).