2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate

C11H16N2O4 — CID 67860202

IUPAC2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
SMILESCC(C)COC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O4/c1-8(2)7-17-11(16)12-5-6-13-9(14)3-4-10(13)15/h3-4,8H,5-7H2,1-2H3,(H,12,16)
InChIKeyCYJIEKHHFPMHLS-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.29
Rot. Bonds5

About 2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate

2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate (PubChem CID 67860202) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
PubChem CID67860202
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate
SMILESCC(C)COC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C11H16N2O4/c1-8(2)7-17-11(16)12-5-6-13-9(14)3-4-10(13)15/h3-4,8H,5-7H2,1-2H3,(H,12,16)
InChIKeyCYJIEKHHFPMHLS-UHFFFAOYSA-N
XLogP0.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.29
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-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate (CID 67860202) is 2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate is CC(C)COC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate?
The InChIKey is CYJIEKHHFPMHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8(2)7-17-11(16)12-5-6-13-9(14)3-4-10(13)15/h3-4,8H,5-7H2,1-2H3,(H,12,16).
What are the key properties of 2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate?
2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate has a molecular weight of 240.26 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-(2,5-dioxopyrrol-1-yl)ethyl]carbamate is sourced from PubChem (CID 67860202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).