4,5-dihydro-1,4-oxazepin-2-ol

C5H7NO2 — CID 174834460

IUPAC4,5-dihydro-1,4-oxazepin-2-ol
SMILESOC1=CNCC=CO1
InChIInChI=1S/C5H7NO2/c7-5-4-6-2-1-3-8-5/h1,3-4,6-7H,2H2
InChIKeyKBBMVMRAUUILQT-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.48
Rot. Bonds

About 4,5-dihydro-1,4-oxazepin-2-ol

4,5-dihydro-1,4-oxazepin-2-ol (PubChem CID 174834460) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 4,5-dihydro-1,4-oxazepin-2-ol.

Molecular Properties

Compound Name4,5-dihydro-1,4-oxazepin-2-ol
PubChem CID174834460
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name4,5-dihydro-1,4-oxazepin-2-ol
SMILESOC1=CNCC=CO1
InChIInChI=1S/C5H7NO2/c7-5-4-6-2-1-3-8-5/h1,3-4,6-7H,2H2
InChIKeyKBBMVMRAUUILQT-UHFFFAOYSA-N
XLogP0.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,4-oxazepin-2-ol?
The IUPAC name of 4,5-dihydro-1,4-oxazepin-2-ol (CID 174834460) is 4,5-dihydro-1,4-oxazepin-2-ol.
What is the SMILES notation for 4,5-dihydro-1,4-oxazepin-2-ol?
The canonical SMILES for 4,5-dihydro-1,4-oxazepin-2-ol is OC1=CNCC=CO1.
What is the InChIKey of 4,5-dihydro-1,4-oxazepin-2-ol?
The InChIKey is KBBMVMRAUUILQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-5-4-6-2-1-3-8-5/h1,3-4,6-7H,2H2.
What are the key properties of 4,5-dihydro-1,4-oxazepin-2-ol?
4,5-dihydro-1,4-oxazepin-2-ol has a molecular weight of 113.12 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,4-oxazepin-2-ol is sourced from PubChem (CID 174834460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).