1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione

C17H20N2O3 — CID 167897715

IUPAC1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione
SMILESO=C1C=C(NCCC2CC(O)C2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H20N2O3/c20-14-8-13(9-14)6-7-18-15-10-16(21)19(17(15)22)11-12-4-2-1-3-5-12/h1-5,10,13-14,18,20H,6-9,11H2
InChIKeyCQFZMIMSLPSINU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.19
Rot. Bonds6

About 1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione

1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione (PubChem CID 167897715) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione
PubChem CID167897715
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione
SMILESO=C1C=C(NCCC2CC(O)C2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H20N2O3/c20-14-8-13(9-14)6-7-18-15-10-16(21)19(17(15)22)11-12-4-2-1-3-5-12/h1-5,10,13-14,18,20H,6-9,11H2
InChIKeyCQFZMIMSLPSINU-UHFFFAOYSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione (CID 167897715) is 1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione is O=C1C=C(NCCC2CC(O)C2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione?
The InChIKey is CQFZMIMSLPSINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-14-8-13(9-14)6-7-18-15-10-16(21)19(17(15)22)11-12-4-2-1-3-5-12/h1-5,10,13-14,18,20H,6-9,11H2.
What are the key properties of 1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione?
1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione has a molecular weight of 300.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(3-hydroxycyclobutyl)ethylamino]pyrrole-2,5-dione is sourced from PubChem (CID 167897715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).