N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide

C12H16N2O5 — CID 173190712

IUPACN-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide
SMILESO=C(CN1CC=CCCC1=O)NC1CC(=O)OC1O
InChIInChI=1S/C12H16N2O5/c15-9(13-8-6-11(17)19-12(8)18)7-14-5-3-1-2-4-10(14)16/h1,3,8,12,18H,2,4-7H2,(H,13,15)
InChIKeyZTMYMYGIHFLHGF-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.08
Rot. Bonds3

About N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide

N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide (PubChem CID 173190712) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide
PubChem CID173190712
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide
SMILESO=C(CN1CC=CCCC1=O)NC1CC(=O)OC1O
InChIInChI=1S/C12H16N2O5/c15-9(13-8-6-11(17)19-12(8)18)7-14-5-3-1-2-4-10(14)16/h1,3,8,12,18H,2,4-7H2,(H,13,15)
InChIKeyZTMYMYGIHFLHGF-UHFFFAOYSA-N
XLogP-1.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide 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 N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide (CID 173190712) is N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide is O=C(CN1CC=CCCC1=O)NC1CC(=O)OC1O.
What is the InChIKey of N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide?
The InChIKey is ZTMYMYGIHFLHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c15-9(13-8-6-11(17)19-12(8)18)7-14-5-3-1-2-4-10(14)16/h1,3,8,12,18H,2,4-7H2,(H,13,15).
What are the key properties of N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide?
N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide has a molecular weight of 268.27 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-oxooxolan-3-yl)-2-(7-oxo-5,6-dihydro-2H-azepin-1-yl)acetamide is sourced from PubChem (CID 173190712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).