(2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate

C13H13N3O4 — CID 130455559

IUPAC(2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate
SMILESC=C1CCC(=O)N1OC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H13N3O4/c1-8-2-7-11(17)16(8)20-13(19)15-10-5-3-9(4-6-10)12(14)18/h3-6H,1-2,7H2,(H2,14,18)(H,15,19)
InChIKeyWLALMJMCWOORKQ-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.39
Rot. Bonds3

About (2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate

(2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate (PubChem CID 130455559) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate.

Molecular Properties

Compound Name(2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate
PubChem CID130455559
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name(2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate
SMILESC=C1CCC(=O)N1OC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H13N3O4/c1-8-2-7-11(17)16(8)20-13(19)15-10-5-3-9(4-6-10)12(14)18/h3-6H,1-2,7H2,(H2,14,18)(H,15,19)
InChIKeyWLALMJMCWOORKQ-UHFFFAOYSA-N
XLogP1.39
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate?
The IUPAC name of (2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate (CID 130455559) is (2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate.
What is the SMILES notation for (2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate?
The canonical SMILES for (2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate is C=C1CCC(=O)N1OC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of (2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate?
The InChIKey is WLALMJMCWOORKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-8-2-7-11(17)16(8)20-13(19)15-10-5-3-9(4-6-10)12(14)18/h3-6H,1-2,7H2,(H2,14,18)(H,15,19).
What are the key properties of (2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate?
(2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate has a molecular weight of 275.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidene-5-oxopyrrolidin-1-yl) N-(4-carbamoylphenyl)carbamate is sourced from PubChem (CID 130455559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).