4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol

C6H11NO2 — CID 91057913

IUPAC4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol
SMILESOCC1=NCCCCO1
InChIInChI=1S/C6H11NO2/c8-5-6-7-3-1-2-4-9-6/h8H,1-5H2
InChIKeyMPYRRBKVLMNTBT-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.19
Rot. Bonds1

About 4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol

4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol (PubChem CID 91057913) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol
PubChem CID91057913
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol
SMILESOCC1=NCCCCO1
InChIInChI=1S/C6H11NO2/c8-5-6-7-3-1-2-4-9-6/h8H,1-5H2
InChIKeyMPYRRBKVLMNTBT-UHFFFAOYSA-N
XLogP0.19
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol?
The IUPAC name of 4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol (CID 91057913) is 4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol?
The canonical SMILES for 4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol is OCC1=NCCCCO1.
What is the InChIKey of 4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol?
The InChIKey is MPYRRBKVLMNTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-5-6-7-3-1-2-4-9-6/h8H,1-5H2.
What are the key properties of 4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol?
4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol has a molecular weight of 129.16 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol is sourced from PubChem (CID 91057913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).