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

C6H12ClNO2 — CID 146154961

IUPAC(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
SMILESC1CO[C@H]2COC[C@@H]2N1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-2-9-6-4-8-3-5(6)7-1;/h5-7H,1-4H2;1H/t5-,6-;/m0./s1
InChIKeyCBCKFSNBSXRTCT-GEMLJDPKSA-N
MW165.62 g/mol
LogP-0.20
Rot. Bonds

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

(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride (PubChem CID 146154961) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is (4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
PubChem CID146154961
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
SMILESC1CO[C@H]2COC[C@@H]2N1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-2-9-6-4-8-3-5(6)7-1;/h5-7H,1-4H2;1H/t5-,6-;/m0./s1
InChIKeyCBCKFSNBSXRTCT-GEMLJDPKSA-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

Analyze (4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
CID 77232572
(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
6-fluoro-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 90236159
(4aR)-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[3,4-b][1,4]oxazine
CID 134179838

Frequently Asked Questions

What is the IUPAC name of (4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride?
The IUPAC name of (4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride (CID 146154961) is (4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride.
What is the SMILES notation for (4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride?
The canonical SMILES for (4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride is C1CO[C@H]2COC[C@@H]2N1.Cl.
What is the InChIKey of (4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride?
The InChIKey is CBCKFSNBSXRTCT-GEMLJDPKSA-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/t5-,6-;/m0./s1.
What are the key properties of (4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride?
(4aS,7aR)-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 (4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride is sourced from PubChem (CID 146154961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).