3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride

C6H12ClNO2 — CID 77232572

IUPAC3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
SMILESC1COC2COCC2N1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-2-9-6-4-8-3-5(6)7-1;/h5-7H,1-4H2;1H
InChIKeyCBCKFSNBSXRTCT-UHFFFAOYSA-N
MW165.62 g/mol
LogP-0.20
Rot. Bonds

About 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride

3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride (PubChem CID 77232572) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
PubChem CID77232572
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
SMILESC1COC2COCC2N1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-2-9-6-4-8-3-5(6)7-1;/h5-7H,1-4H2;1H
InChIKeyCBCKFSNBSXRTCT-UHFFFAOYSA-N
XLogP-0.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
CID 146154961
(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride
CID 112756865
2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
CID 54595647
(6R)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 174100018
(3S)-3-[(3S)-morpholin-3-yl]morpholine
CID 11693975
3,4,5,5a,6,8,9,9a-octahydro-2H-pyrano[4,3-b][1,4]oxazepine
CID 43608951
(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 22857293
5,9-dioxa-2-azabicyclo[6.2.0]decane
CID 122672123
6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 146675358
(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine
CID 92720099
(4aR)-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[3,4-b][1,4]oxazine
CID 134179838
6-fluoro-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 90236159

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride?
The IUPAC name of 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride (CID 77232572) is 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride.
What is the SMILES notation for 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride?
The canonical SMILES for 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride is C1COC2COCC2N1.Cl.
What is the InChIKey of 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride?
The InChIKey is CBCKFSNBSXRTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-2-9-6-4-8-3-5(6)7-1;/h5-7H,1-4H2;1H.
What are the key properties of 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride?
3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride is sourced from PubChem (CID 77232572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).