1,4-oxazonine;hydrochloride

C7H8ClNO — CID 155696753

IUPAC1,4-oxazonine;hydrochloride
SMILESCl.c1ccnccocc1
InChIInChI=1S/C7H7NO.ClH/c1-2-4-8-5-7-9-6-3-1;/h1-7H;1H/b2-1-,6-3-,7-5-,8-4-;
InChIKeyCIWSXSBDMKRNLC-JHPLSVHKSA-N
MW157.60 g/mol
LogP2.22
Rot. Bonds

About 1,4-oxazonine;hydrochloride

1,4-oxazonine;hydrochloride (PubChem CID 155696753) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 1,4-oxazonine;hydrochloride.

Molecular Properties

Compound Name1,4-oxazonine;hydrochloride
PubChem CID155696753
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name1,4-oxazonine;hydrochloride
SMILESCl.c1ccnccocc1
InChIInChI=1S/C7H7NO.ClH/c1-2-4-8-5-7-9-6-3-1;/h1-7H;1H/b2-1-,6-3-,7-5-,8-4-;
InChIKeyCIWSXSBDMKRNLC-JHPLSVHKSA-N
XLogP2.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-oxazonine;hydrochloride?
The IUPAC name of 1,4-oxazonine;hydrochloride (CID 155696753) is 1,4-oxazonine;hydrochloride.
What is the SMILES notation for 1,4-oxazonine;hydrochloride?
The canonical SMILES for 1,4-oxazonine;hydrochloride is Cl.c1ccnccocc1.
What is the InChIKey of 1,4-oxazonine;hydrochloride?
The InChIKey is CIWSXSBDMKRNLC-JHPLSVHKSA-N. The full InChI is InChI=1S/C7H7NO.ClH/c1-2-4-8-5-7-9-6-3-1;/h1-7H;1H/b2-1-,6-3-,7-5-,8-4-;.
What are the key properties of 1,4-oxazonine;hydrochloride?
1,4-oxazonine;hydrochloride has a molecular weight of 157.60 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxazonine;hydrochloride is sourced from PubChem (CID 155696753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).