(2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate

C13H15N3O4 — CID 87207235

IUPAC(2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate
SMILESCN(C)c1cccc(NC(=O)ON2C(=O)CCC2=O)c1
InChIInChI=1S/C13H15N3O4/c1-15(2)10-5-3-4-9(8-10)14-13(19)20-16-11(17)6-7-12(16)18/h3-5,8H,6-7H2,1-2H3,(H,14,19)
InChIKeyPHQZQFDCCKDTLV-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.37
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate

(2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate (PubChem CID 87207235) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate
PubChem CID87207235
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate
SMILESCN(C)c1cccc(NC(=O)ON2C(=O)CCC2=O)c1
InChIInChI=1S/C13H15N3O4/c1-15(2)10-5-3-4-9(8-10)14-13(19)20-16-11(17)6-7-12(16)18/h3-5,8H,6-7H2,1-2H3,(H,14,19)
InChIKeyPHQZQFDCCKDTLV-UHFFFAOYSA-N
XLogP1.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate (CID 87207235) is (2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate is CN(C)c1cccc(NC(=O)ON2C(=O)CCC2=O)c1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate?
The InChIKey is PHQZQFDCCKDTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-15(2)10-5-3-4-9(8-10)14-13(19)20-16-11(17)6-7-12(16)18/h3-5,8H,6-7H2,1-2H3,(H,14,19).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate?
(2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate has a molecular weight of 277.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate is sourced from PubChem (CID 87207235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).