(3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione

C16H18N2O2 — CID 51453721

IUPAC(3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc3c(c2)CCC3)C(=O)N1C1CC1
InChIInChI=1S/C16H18N2O2/c19-15-9-14(16(20)18(15)13-6-7-13)17-12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13-14,17H,1-3,6-7,9H2/t14-/m0/s1
InChIKeyIYSVPHVZVLUTTB-AWEZNQCLSA-N
MW270.33 g/mol
LogP1.88
Rot. Bonds3

About (3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione

(3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione (PubChem CID 51453721) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione
PubChem CID51453721
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](Nc2ccc3c(c2)CCC3)C(=O)N1C1CC1
InChIInChI=1S/C16H18N2O2/c19-15-9-14(16(20)18(15)13-6-7-13)17-12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13-14,17H,1-3,6-7,9H2/t14-/m0/s1
InChIKeyIYSVPHVZVLUTTB-AWEZNQCLSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione (CID 51453721) is (3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione is O=C1C[C@H](Nc2ccc3c(c2)CCC3)C(=O)N1C1CC1.
What is the InChIKey of (3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione?
The InChIKey is IYSVPHVZVLUTTB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15-9-14(16(20)18(15)13-6-7-13)17-12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13-14,17H,1-3,6-7,9H2/t14-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione?
(3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione has a molecular weight of 270.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51453721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).