(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione

C16H18N4O7 — CID 167738640

IUPAC(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(NCCc1ccncc1)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C12H13N3O4.C4H5NO3/c16-10-1-2-11(17)15(10)19-12(18)14-8-5-9-3-6-13-7-4-9;6-3-1-2-4(7)5(3)8/h3-4,6-7H,1-2,5,8H2,(H,14,18);8H,1-2H2
InChIKeyFFYJLFCSXQCFOU-UHFFFAOYSA-N
MW378.34 g/mol
LogP-0.06
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione

(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione (PubChem CID 167738640) has the molecular formula C16H18N4O7 and a molecular weight of 378.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione
PubChem CID167738640
Molecular FormulaC16H18N4O7
Molecular Weight378.34 g/mol
Exact Mass378.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione
SMILESO=C(NCCc1ccncc1)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O
InChIInChI=1S/C12H13N3O4.C4H5NO3/c16-10-1-2-11(17)15(10)19-12(18)14-8-5-9-3-6-13-7-4-9;6-3-1-2-4(7)5(3)8/h3-4,6-7H,1-2,5,8H2,(H,14,18);8H,1-2H2
InChIKeyFFYJLFCSXQCFOU-UHFFFAOYSA-N
XLogP-0.06
TPSA146.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione (CID 167738640) is (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione is O=C(NCCc1ccncc1)ON1C(=O)CCC1=O.O=C1CCC(=O)N1O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is FFYJLFCSXQCFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4.C4H5NO3/c16-10-1-2-11(17)15(10)19-12(18)14-8-5-9-3-6-13-7-4-9;6-3-1-2-4(7)5(3)8/h3-4,6-7H,1-2,5,8H2,(H,14,18);8H,1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione?
(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 378.34 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 167738640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).