N-(2-oxo-1,3-dihydroazepin-3-yl)formamide

C7H8N2O2 — CID 90940112

IUPACN-(2-oxo-1,3-dihydroazepin-3-yl)formamide
SMILESO=CNC1C=CC=CNC1=O
InChIInChI=1S/C7H8N2O2/c10-5-9-6-3-1-2-4-8-7(6)11/h1-6H,(H,8,11)(H,9,10)
InChIKeyNIDYYPSJPMGXIJ-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.70
Rot. Bonds2

About N-(2-oxo-1,3-dihydroazepin-3-yl)formamide

N-(2-oxo-1,3-dihydroazepin-3-yl)formamide (PubChem CID 90940112) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydroazepin-3-yl)formamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydroazepin-3-yl)formamide
PubChem CID90940112
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC NameN-(2-oxo-1,3-dihydroazepin-3-yl)formamide
SMILESO=CNC1C=CC=CNC1=O
InChIInChI=1S/C7H8N2O2/c10-5-9-6-3-1-2-4-8-7(6)11/h1-6H,(H,8,11)(H,9,10)
InChIKeyNIDYYPSJPMGXIJ-UHFFFAOYSA-N
XLogP-0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydroazepin-3-yl)formamide?
The IUPAC name of N-(2-oxo-1,3-dihydroazepin-3-yl)formamide (CID 90940112) is N-(2-oxo-1,3-dihydroazepin-3-yl)formamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydroazepin-3-yl)formamide?
The canonical SMILES for N-(2-oxo-1,3-dihydroazepin-3-yl)formamide is O=CNC1C=CC=CNC1=O.
What is the InChIKey of N-(2-oxo-1,3-dihydroazepin-3-yl)formamide?
The InChIKey is NIDYYPSJPMGXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-5-9-6-3-1-2-4-8-7(6)11/h1-6H,(H,8,11)(H,9,10).
What are the key properties of N-(2-oxo-1,3-dihydroazepin-3-yl)formamide?
N-(2-oxo-1,3-dihydroazepin-3-yl)formamide has a molecular weight of 152.15 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydroazepin-3-yl)formamide is sourced from PubChem (CID 90940112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).