(6R)-2-oxa-5-azabicyclo[4.1.0]heptane

C5H9NO — CID 174100018

IUPAC(6R)-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESC1COC2C[C@H]2N1
InChIInChI=1S/C5H9NO/c1-2-7-5-3-4(5)6-1/h4-6H,1-3H2/t4-,5?/m1/s1
InChIKeyTWWBQCNHUYGMJP-CNZKWPKMSA-N
MW99.13 g/mol
LogP-0.25
Rot. Bonds

About (6R)-2-oxa-5-azabicyclo[4.1.0]heptane

(6R)-2-oxa-5-azabicyclo[4.1.0]heptane (PubChem CID 174100018) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (6R)-2-oxa-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(6R)-2-oxa-5-azabicyclo[4.1.0]heptane
PubChem CID174100018
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(6R)-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESC1COC2C[C@H]2N1
InChIInChI=1S/C5H9NO/c1-2-7-5-3-4(5)6-1/h4-6H,1-3H2/t4-,5?/m1/s1
InChIKeyTWWBQCNHUYGMJP-CNZKWPKMSA-N
XLogP-0.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
CID 54595647
6-fluoro-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 90236159
(4aS,6R,8aS)-6-methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 124709188
(4aS,7R,8aR)-N,N-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazin-7-amine
CID 96997825
(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine
CID 92720099
(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
CID 146154961
(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 22857293
3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
CID 77232572
(4aR)-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[3,4-b][1,4]oxazine
CID 134179838
(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine;hydrochloride
CID 112756865
(4aR,8aS)-7-(2-methylbutan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 178199486
6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 146675358

Frequently Asked Questions

What is the IUPAC name of (6R)-2-oxa-5-azabicyclo[4.1.0]heptane?
The IUPAC name of (6R)-2-oxa-5-azabicyclo[4.1.0]heptane (CID 174100018) is (6R)-2-oxa-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (6R)-2-oxa-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for (6R)-2-oxa-5-azabicyclo[4.1.0]heptane is C1COC2C[C@H]2N1.
What is the InChIKey of (6R)-2-oxa-5-azabicyclo[4.1.0]heptane?
The InChIKey is TWWBQCNHUYGMJP-CNZKWPKMSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-7-5-3-4(5)6-1/h4-6H,1-3H2/t4-,5?/m1/s1.
What are the key properties of (6R)-2-oxa-5-azabicyclo[4.1.0]heptane?
(6R)-2-oxa-5-azabicyclo[4.1.0]heptane has a molecular weight of 99.13 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-oxa-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 174100018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).