methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate

C15H25NO6 — CID 143153987

IUPACmethanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate
SMILESCO.COC(=O)C[C@H]1OC/C=C\COC[C@H]2CCCN2C1=O
InChIInChI=1S/C14H21NO5.CH4O/c1-18-13(16)9-12-14(17)15-6-4-5-11(15)10-19-7-2-3-8-20-12;1-2/h2-3,11-12H,4-10H2,1H3;2H,1H3/b3-2-;/t11-,12-;/m1./s1
InChIKeyZDHXGGDDJYHQIS-LUSRXDMOSA-N
MW315.37 g/mol
LogP0.12
Rot. Bonds2

About methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate

methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate (PubChem CID 143153987) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate.

Molecular Properties

Compound Namemethanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate
PubChem CID143153987
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Namemethanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate
SMILESCO.COC(=O)C[C@H]1OC/C=C\COC[C@H]2CCCN2C1=O
InChIInChI=1S/C14H21NO5.CH4O/c1-18-13(16)9-12-14(17)15-6-4-5-11(15)10-19-7-2-3-8-20-12;1-2/h2-3,11-12H,4-10H2,1H3;2H,1H3/b3-2-;/t11-,12-;/m1./s1
InChIKeyZDHXGGDDJYHQIS-LUSRXDMOSA-N
XLogP0.12
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate?
The IUPAC name of methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate (CID 143153987) is methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate.
What is the SMILES notation for methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate?
The canonical SMILES for methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate is CO.COC(=O)C[C@H]1OC/C=C\COC[C@H]2CCCN2C1=O.
What is the InChIKey of methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate?
The InChIKey is ZDHXGGDDJYHQIS-LUSRXDMOSA-N. The full InChI is InChI=1S/C14H21NO5.CH4O/c1-18-13(16)9-12-14(17)15-6-4-5-11(15)10-19-7-2-3-8-20-12;1-2/h2-3,11-12H,4-10H2,1H3;2H,1H3/b3-2-;/t11-,12-;/m1./s1.
What are the key properties of methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate?
methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate has a molecular weight of 315.37 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl 2-[(3R,6Z,11R)-2-oxo-4,9-dioxa-1-azabicyclo[9.3.0]tetradec-6-en-3-yl]acetate is sourced from PubChem (CID 143153987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).