methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate

C14H23NO3 — CID 12982924

IUPACmethyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate
SMILESCOC(=O)CC1(N2CCOCC2)[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C14H23NO3/c1-17-13(16)10-14(15-6-8-18-9-7-15)11-4-2-3-5-12(11)14/h11-12H,2-10H2,1H3/t11-,12+,14?
InChIKeyWGBFMYLJUQLOKA-ONXXMXGDSA-N
MW253.34 g/mol
LogP1.44
Rot. Bonds3

About methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate

methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate (PubChem CID 12982924) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate
PubChem CID12982924
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate
SMILESCOC(=O)CC1(N2CCOCC2)[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C14H23NO3/c1-17-13(16)10-14(15-6-8-18-9-7-15)11-4-2-3-5-12(11)14/h11-12H,2-10H2,1H3/t11-,12+,14?
InChIKeyWGBFMYLJUQLOKA-ONXXMXGDSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate?
The IUPAC name of methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate (CID 12982924) is methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate.
What is the SMILES notation for methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate?
The canonical SMILES for methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate is COC(=O)CC1(N2CCOCC2)[C@@H]2CCCC[C@@H]21.
What is the InChIKey of methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate?
The InChIKey is WGBFMYLJUQLOKA-ONXXMXGDSA-N. The full InChI is InChI=1S/C14H23NO3/c1-17-13(16)10-14(15-6-8-18-9-7-15)11-4-2-3-5-12(11)14/h11-12H,2-10H2,1H3/t11-,12+,14?.
What are the key properties of methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate?
methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate has a molecular weight of 253.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,6R)-7-morpholin-4-yl-7-bicyclo[4.1.0]heptanyl]acetate is sourced from PubChem (CID 12982924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).