(2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate

C8H12N2O4 — CID 10035669

IUPAC(2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O4/c1-5(2)9-8(13)14-10-6(11)3-4-7(10)12/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeyKHAMNADHIXZMMY-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.19
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate

(2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate (PubChem CID 10035669) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate
PubChem CID10035669
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O4/c1-5(2)9-8(13)14-10-6(11)3-4-7(10)12/h5H,3-4H2,1-2H3,(H,9,13)
InChIKeyKHAMNADHIXZMMY-UHFFFAOYSA-N
XLogP0.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
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 (2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate (CID 10035669) is (2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate is CC(C)NC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate?
The InChIKey is KHAMNADHIXZMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-5(2)9-8(13)14-10-6(11)3-4-7(10)12/h5H,3-4H2,1-2H3,(H,9,13).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate?
(2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate has a molecular weight of 200.19 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 10035669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).