2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride

C5H11ClN2O — CID 22617759

IUPAC2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride
SMILESCl.NC1=NCCOCC1
InChIInChI=1S/C5H10N2O.ClH/c6-5-1-3-8-4-2-7-5;/h1-4H2,(H2,6,7);1H
InChIKeyUFUVOUXIPFMWIZ-UHFFFAOYSA-N
MW150.61 g/mol
LogP0.19
Rot. Bonds

About 2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride

2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride (PubChem CID 22617759) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is 2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride.

Molecular Properties

Compound Name2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride
PubChem CID22617759
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride
SMILESCl.NC1=NCCOCC1
InChIInChI=1S/C5H10N2O.ClH/c6-5-1-3-8-4-2-7-5;/h1-4H2,(H2,6,7);1H
InChIKeyUFUVOUXIPFMWIZ-UHFFFAOYSA-N
XLogP0.19
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride?
The IUPAC name of 2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride (CID 22617759) is 2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride.
What is the SMILES notation for 2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride?
The canonical SMILES for 2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride is Cl.NC1=NCCOCC1.
What is the InChIKey of 2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride?
The InChIKey is UFUVOUXIPFMWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.ClH/c6-5-1-3-8-4-2-7-5;/h1-4H2,(H2,6,7);1H.
What are the key properties of 2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride?
2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydro-1,4-oxazepin-5-amine;hydrochloride is sourced from PubChem (CID 22617759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).