4,5,6,7-tetrahydrooxadiazepine

C4H8N2O — CID 21113756

IUPAC4,5,6,7-tetrahydrooxadiazepine
SMILESC1CCON=NC1
InChIInChI=1S/C4H8N2O/c1-2-4-7-6-5-3-1/h1-4H2
InChIKeyZCTLJULMSMSXFF-UHFFFAOYSA-N
MW100.12 g/mol
LogP1.16
Rot. Bonds

About 4,5,6,7-tetrahydrooxadiazepine

4,5,6,7-tetrahydrooxadiazepine (PubChem CID 21113756) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrooxadiazepine.

Molecular Properties

Compound Name4,5,6,7-tetrahydrooxadiazepine
PubChem CID21113756
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name4,5,6,7-tetrahydrooxadiazepine
SMILESC1CCON=NC1
InChIInChI=1S/C4H8N2O/c1-2-4-7-6-5-3-1/h1-4H2
InChIKeyZCTLJULMSMSXFF-UHFFFAOYSA-N
XLogP1.16
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydro-4H-oxadiazine
CID 21113757
1,3,2-dioxathiepane
CID 89312218
barium(2+);3,22-dioxa-12,13-diazabicyclo[22.4.0]octacosa-1(28),12,24,26-tetraene-2,23-dione;hydride
CID 174666774
4H-oxadiazin-5-one
CID 54403866
1-oxa-8,10-diazacyclooctadeca-8,9-diene
CID 130402488
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol
CID 91057913
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
manganese;oxolane
CID 70504486

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrooxadiazepine?
The IUPAC name of 4,5,6,7-tetrahydrooxadiazepine (CID 21113756) is 4,5,6,7-tetrahydrooxadiazepine.
What is the SMILES notation for 4,5,6,7-tetrahydrooxadiazepine?
The canonical SMILES for 4,5,6,7-tetrahydrooxadiazepine is C1CCON=NC1.
What is the InChIKey of 4,5,6,7-tetrahydrooxadiazepine?
The InChIKey is ZCTLJULMSMSXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-2-4-7-6-5-3-1/h1-4H2.
What are the key properties of 4,5,6,7-tetrahydrooxadiazepine?
4,5,6,7-tetrahydrooxadiazepine has a molecular weight of 100.12 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrooxadiazepine is sourced from PubChem (CID 21113756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).