(2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate

C11H15N3O5 — CID 72527724

IUPAC(2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate
SMILESO=C1CCC(NC(=O)ON2C(=O)CCC2=O)CCN1
InChIInChI=1S/C11H15N3O5/c15-8-2-1-7(5-6-12-8)13-11(18)19-14-9(16)3-4-10(14)17/h7H,1-6H2,(H,12,15)(H,13,18)
InChIKeyJBSKIFFBOAASTK-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.55
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate

(2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate (PubChem CID 72527724) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate
PubChem CID72527724
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate
SMILESO=C1CCC(NC(=O)ON2C(=O)CCC2=O)CCN1
InChIInChI=1S/C11H15N3O5/c15-8-2-1-7(5-6-12-8)13-11(18)19-14-9(16)3-4-10(14)17/h7H,1-6H2,(H,12,15)(H,13,18)
InChIKeyJBSKIFFBOAASTK-UHFFFAOYSA-N
XLogP-0.55
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) N-[(4S)-7-oxoazepan-4-yl]carbamate
CID 59142752
N-(7-oxoazepan-4-yl)propanamide
CID 131010978
(2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate
CID 21030166
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433
(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate)
CID 159685030
benzyl (4S)-4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]azepane-1-carboxylate
CID 59142710
1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide
CID 138055821
4-methyl-2-oxo-N-(7-oxoazepan-4-yl)-1H-pyridine-3-carboxamide
CID 138036113
2-(2,2-difluoroethoxy)-N-(7-oxoazepan-4-yl)pyridine-4-carboxamide
CID 167781525
(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
CID 10867564
(2,5-dioxopyrrolidin-1-yl) N-(1-benzylazepan-3-yl)carbamate
CID 72527776
6-oxo-N-[(3S)-pyrrolidin-3-yl]piperidine-3-carboxamide
CID 83192394

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate (CID 72527724) is (2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate is O=C1CCC(NC(=O)ON2C(=O)CCC2=O)CCN1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate?
The InChIKey is JBSKIFFBOAASTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c15-8-2-1-7(5-6-12-8)13-11(18)19-14-9(16)3-4-10(14)17/h7H,1-6H2,(H,12,15)(H,13,18).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate?
(2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate has a molecular weight of 269.26 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate is sourced from PubChem (CID 72527724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).