2,3-dihydro-1,3-oxazepine

C5H7NO — CID 58550601

IUPAC2,3-dihydro-1,3-oxazepine
SMILESC1=CNCOC=C1
InChIInChI=1S/C5H7NO/c1-2-4-7-5-6-3-1/h1-4,6H,5H2
InChIKeyHZDQPGZVRYKWML-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.59
Rot. Bonds

About 2,3-dihydro-1,3-oxazepine

2,3-dihydro-1,3-oxazepine (PubChem CID 58550601) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 2,3-dihydro-1,3-oxazepine.

Molecular Properties

Compound Name2,3-dihydro-1,3-oxazepine
PubChem CID58550601
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name2,3-dihydro-1,3-oxazepine
SMILESC1=CNCOC=C1
InChIInChI=1S/C5H7NO/c1-2-4-7-5-6-3-1/h1-4,6H,5H2
InChIKeyHZDQPGZVRYKWML-UHFFFAOYSA-N
XLogP0.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-oxazepine?
The IUPAC name of 2,3-dihydro-1,3-oxazepine (CID 58550601) is 2,3-dihydro-1,3-oxazepine.
What is the SMILES notation for 2,3-dihydro-1,3-oxazepine?
The canonical SMILES for 2,3-dihydro-1,3-oxazepine is C1=CNCOC=C1.
What is the InChIKey of 2,3-dihydro-1,3-oxazepine?
The InChIKey is HZDQPGZVRYKWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-4-7-5-6-3-1/h1-4,6H,5H2.
What are the key properties of 2,3-dihydro-1,3-oxazepine?
2,3-dihydro-1,3-oxazepine has a molecular weight of 97.12 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-oxazepine is sourced from PubChem (CID 58550601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).