(4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride

C7H13ClN2O2 — CID 139531321

IUPAC(4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H]2CCNC[C@H]2CO1
InChIInChI=1S/C7H12N2O2.ClH/c10-7-9-6-1-2-8-3-5(6)4-11-7;/h5-6,8H,1-4H2,(H,9,10);1H/t5-,6+;/m0./s1
InChIKeySTKFMIGDKIUMKE-RIHPBJNCSA-N
MW192.65 g/mol
LogP0.13
Rot. Bonds

About (4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride

(4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride (PubChem CID 139531321) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is (4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride.

Molecular Properties

Compound Name(4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride
PubChem CID139531321
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name(4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H]2CCNC[C@H]2CO1
InChIInChI=1S/C7H12N2O2.ClH/c10-7-9-6-1-2-8-3-5(6)4-11-7;/h5-6,8H,1-4H2,(H,9,10);1H/t5-,6+;/m0./s1
InChIKeySTKFMIGDKIUMKE-RIHPBJNCSA-N
XLogP0.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride?
The IUPAC name of (4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride (CID 139531321) is (4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride.
What is the SMILES notation for (4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride?
The canonical SMILES for (4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride is Cl.O=C1N[C@@H]2CCNC[C@H]2CO1.
What is the InChIKey of (4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride?
The InChIKey is STKFMIGDKIUMKE-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H12N2O2.ClH/c10-7-9-6-1-2-8-3-5(6)4-11-7;/h5-6,8H,1-4H2,(H,9,10);1H/t5-,6+;/m0./s1.
What are the key properties of (4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride?
(4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride has a molecular weight of 192.65 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride is sourced from PubChem (CID 139531321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).