(5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one

C7H11NO2 — CID 10486942

IUPAC(5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one
SMILESCCC[C@H]1[C@@H]2COC(=O)N12
InChIInChI=1S/C7H11NO2/c1-2-3-5-6-4-10-7(9)8(5)6/h5-6H,2-4H2,1H3/t5-,6-,8?/m0/s1
InChIKeyZITXOPIDPBEXGR-AJFZSALYSA-N
MW141.17 g/mol
LogP0.99
Rot. Bonds2

About (5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one

(5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one (PubChem CID 10486942) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one
PubChem CID10486942
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one
SMILESCCC[C@H]1[C@@H]2COC(=O)N12
InChIInChI=1S/C7H11NO2/c1-2-3-5-6-4-10-7(9)8(5)6/h5-6H,2-4H2,1H3/t5-,6-,8?/m0/s1
InChIKeyZITXOPIDPBEXGR-AJFZSALYSA-N
XLogP0.99
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-6,7-dihydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 130151846
3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one
CID 58234740
(2R,3S,5S,6S,7R)-2-ethyl-6-phenylmethoxy-4,9-dioxa-1-azatricyclo[5.3.0.03,5]decan-10-one
CID 23730409
5-(hydroxymethyl)-8-methyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 130149088
3,4-didecyl-1,3-oxazolidin-2-one
CID 69088250
3-ethyl-4-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064155
(5S,6S,7S,8R)-6,7,8-trihydroxy-5-(octylamino)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 46912343
4-methyl-3-pentyl-1,3-oxazolidin-2-one
CID 11378760
(7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 143875837
(5R,6R,7S,8R,8aR)-5,6,7,8-tetrahydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 10632038
1-[(2S,3S)-2,3-dipropylaziridin-1-yl]ethanone
CID 102405794
4-piperidin-3-yl-3-propyl-1,3-oxazolidin-2-one
CID 115064252

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one (CID 10486942) is (5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one is CCC[C@H]1[C@@H]2COC(=O)N12.
What is the InChIKey of (5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is ZITXOPIDPBEXGR-AJFZSALYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-5-6-4-10-7(9)8(5)6/h5-6H,2-4H2,1H3/t5-,6-,8?/m0/s1.
What are the key properties of (5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one?
(5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-propyl-3-oxa-1-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 10486942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).