methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione

C9H15NO4 — CID 143500316

IUPACmethane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione
SMILESC.CON1CC2CC(C1)C(=O)OC2=O
InChIInChI=1S/C8H11NO4.CH4/c1-12-9-3-5-2-6(4-9)8(11)13-7(5)10;/h5-6H,2-4H2,1H3;1H4
InChIKeyYIDSFUWGXVEMHZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.21
Rot. Bonds1

About methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione

methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione (PubChem CID 143500316) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione.

Molecular Properties

Compound Namemethane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione
PubChem CID143500316
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione
SMILESC.CON1CC2CC(C1)C(=O)OC2=O
InChIInChI=1S/C8H11NO4.CH4/c1-12-9-3-5-2-6(4-9)8(11)13-7(5)10;/h5-6H,2-4H2,1H3;1H4
InChIKeyYIDSFUWGXVEMHZ-UHFFFAOYSA-N
XLogP0.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione?
The IUPAC name of methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione (CID 143500316) is methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione.
What is the SMILES notation for methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione?
The canonical SMILES for methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione is C.CON1CC2CC(C1)C(=O)OC2=O.
What is the InChIKey of methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione?
The InChIKey is YIDSFUWGXVEMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4.CH4/c1-12-9-3-5-2-6(4-9)8(11)13-7(5)10;/h5-6H,2-4H2,1H3;1H4.
What are the key properties of methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione?
methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione has a molecular weight of 201.22 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;7-methoxy-3-oxa-7-azabicyclo[3.3.1]nonane-2,4-dione is sourced from PubChem (CID 143500316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).