(2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate

C11H14N2O4 — CID 138714373

IUPAC(2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H14N2O4/c1-3-7-12(8-4-2)11(16)17-13-9(14)5-6-10(13)15/h3-4H,1-2,5-8H2
InChIKeyXYPOHBVIDXMQQU-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.86
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate

(2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate (PubChem CID 138714373) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate
PubChem CID138714373
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate
SMILESC=CCN(CC=C)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H14N2O4/c1-3-7-12(8-4-2)11(16)17-13-9(14)5-6-10(13)15/h3-4H,1-2,5-8H2
InChIKeyXYPOHBVIDXMQQU-UHFFFAOYSA-N
XLogP0.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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,N-bis(prop-2-enyl)carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate (CID 138714373) is (2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate is C=CCN(CC=C)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate?
The InChIKey is XYPOHBVIDXMQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-7-12(8-4-2)11(16)17-13-9(14)5-6-10(13)15/h3-4H,1-2,5-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate?
(2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate has a molecular weight of 238.24 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N,N-bis(prop-2-enyl)carbamate is sourced from PubChem (CID 138714373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).