tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate

C14H22N2O4 — CID 10612892

IUPACtert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O4/c1-14(2,3)20-13(19)15-9-5-4-6-10-16-11(17)7-8-12(16)18/h7-8H,4-6,9-10H2,1-3H3,(H,15,19)
InChIKeyOSGXOKMWPDUSTI-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.61
Rot. Bonds6

About tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate

tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate (PubChem CID 10612892) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate
PubChem CID10612892
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O4/c1-14(2,3)20-13(19)15-9-5-4-6-10-16-11(17)7-8-12(16)18/h7-8H,4-6,9-10H2,1-3H3,(H,15,19)
InChIKeyOSGXOKMWPDUSTI-UHFFFAOYSA-N
XLogP1.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate (CID 10612892) is tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate is CC(C)(C)OC(=O)NCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate?
The InChIKey is OSGXOKMWPDUSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2,3)20-13(19)15-9-5-4-6-10-16-11(17)7-8-12(16)18/h7-8H,4-6,9-10H2,1-3H3,(H,15,19).
What are the key properties of tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate?
tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate is sourced from PubChem (CID 10612892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).