3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione

C15H16N2O3 — CID 168556561

IUPAC3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2cccc3c2CCC3)C(=O)N1CCO
InChIInChI=1S/C15H16N2O3/c18-8-7-17-14(19)9-13(15(17)20)16-12-6-2-4-10-3-1-5-11(10)12/h2,4,6,9,16,18H,1,3,5,7-8H2
InChIKeyUHPHECYELOEKDC-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.83
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168556561) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168556561
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESO=C1C=C(Nc2cccc3c2CCC3)C(=O)N1CCO
InChIInChI=1S/C15H16N2O3/c18-8-7-17-14(19)9-13(15(17)20)16-12-6-2-4-10-3-1-5-11(10)12/h2,4,6,9,16,18H,1,3,5,7-8H2
InChIKeyUHPHECYELOEKDC-UHFFFAOYSA-N
XLogP0.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559383
3-(3-fluoro-2-piperidin-1-ylanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558086
1-(2-hydroxyethyl)-3-[(5-hydroxynaphthalen-1-yl)amino]pyrrole-2,5-dione
CID 168557850
3-[2-(azepan-1-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559724
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylisoindole-1,3-dione
CID 168559358
3-[2-(2,3-dihydroindole-1-carbonyl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560311
3-(2-cyclohexyloxy-3-fluoroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559178
tert-butyl 7-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2,3-dihydroindole-1-carboxylate
CID 168560651
1-(2-hydroxyethyl)-3-[(4-methylnaphthalen-1-yl)amino]pyrrole-2,5-dione
CID 168557289
1-(2-hydroxyethyl)-3-[(2-methylbenzotriazol-4-yl)amino]pyrrole-2,5-dione
CID 168556105
1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)sulfonylanilino]pyrrole-2,5-dione
CID 168559379
3-[2,6-di(propan-2-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557058

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168556561) is 3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione is O=C1C=C(Nc2cccc3c2CCC3)C(=O)N1CCO.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is UHPHECYELOEKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-8-7-17-14(19)9-13(15(17)20)16-12-6-2-4-10-3-1-5-11(10)12/h2,4,6,9,16,18H,1,3,5,7-8H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 272.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-4-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168556561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).