oxazinane;hydrochloride

C4H10ClNO — CID 13010712

IUPACoxazinane;hydrochloride
SMILESC1CCONC1.Cl
InChIInChI=1S/C4H9NO.ClH/c1-2-4-6-5-3-1;/h5H,1-4H2;1H
InChIKeyHFGVPVHYMUHFRC-UHFFFAOYSA-N
MW123.58 g/mol
LogP0.72
Rot. Bonds

About oxazinane;hydrochloride

oxazinane;hydrochloride (PubChem CID 13010712) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is oxazinane;hydrochloride.

Molecular Properties

Compound Nameoxazinane;hydrochloride
PubChem CID13010712
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Nameoxazinane;hydrochloride
SMILESC1CCONC1.Cl
InChIInChI=1S/C4H9NO.ClH/c1-2-4-6-5-3-1;/h5H,1-4H2;1H
InChIKeyHFGVPVHYMUHFRC-UHFFFAOYSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxazinane;hydrochloride?
The IUPAC name of oxazinane;hydrochloride (CID 13010712) is oxazinane;hydrochloride.
What is the SMILES notation for oxazinane;hydrochloride?
The canonical SMILES for oxazinane;hydrochloride is C1CCONC1.Cl.
What is the InChIKey of oxazinane;hydrochloride?
The InChIKey is HFGVPVHYMUHFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.ClH/c1-2-4-6-5-3-1;/h5H,1-4H2;1H.
What are the key properties of oxazinane;hydrochloride?
oxazinane;hydrochloride has a molecular weight of 123.58 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxazinane;hydrochloride is sourced from PubChem (CID 13010712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).