(5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene

C10H17NO3 — CID 102353924

IUPAC(5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene
SMILESCO[C@]12OC(C)=NC1[C@@H](CC(C)C)O2
InChIInChI=1S/C10H17NO3/c1-6(2)5-8-9-10(12-4,14-8)13-7(3)11-9/h6,8-9H,5H2,1-4H3/t8-,9?,10+/m1/s1
InChIKeyLWSACEICILZIAE-FIBVVXLUSA-N
MW199.25 g/mol
LogP1.55
Rot. Bonds3

About (5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene

(5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene (PubChem CID 102353924) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene.

Molecular Properties

Compound Name(5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene
PubChem CID102353924
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene
SMILESCO[C@]12OC(C)=NC1[C@@H](CC(C)C)O2
InChIInChI=1S/C10H17NO3/c1-6(2)5-8-9-10(12-4,14-8)13-7(3)11-9/h6,8-9H,5H2,1-4H3/t8-,9?,10+/m1/s1
InChIKeyLWSACEICILZIAE-FIBVVXLUSA-N
XLogP1.55
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene?
The IUPAC name of (5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene (CID 102353924) is (5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene.
What is the SMILES notation for (5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene?
The canonical SMILES for (5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene is CO[C@]12OC(C)=NC1[C@@H](CC(C)C)O2.
What is the InChIKey of (5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene?
The InChIKey is LWSACEICILZIAE-FIBVVXLUSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(2)5-8-9-10(12-4,14-8)13-7(3)11-9/h6,8-9H,5H2,1-4H3/t8-,9?,10+/m1/s1.
What are the key properties of (5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene?
(5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene has a molecular weight of 199.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-5-methoxy-3-methyl-7-(2-methylpropyl)-4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene is sourced from PubChem (CID 102353924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).