(1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one

C12H17NO2 — CID 11218018

IUPAC(1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one
SMILESC=C[C@H]1CCC[C@@]23CCC[C@@H]2OC(=O)N13
InChIInChI=1S/C12H17NO2/c1-2-9-5-3-7-12-8-4-6-10(12)15-11(14)13(9)12/h2,9-10H,1,3-8H2/t9-,10-,12+/m0/s1
InChIKeyWFUQYHGDZCJGHH-JBLDHEPKSA-N
MW207.27 g/mol
LogP2.47
Rot. Bonds1

About (1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one

(1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one (PubChem CID 11218018) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one.

Molecular Properties

Compound Name(1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one
PubChem CID11218018
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one
SMILESC=C[C@H]1CCC[C@@]23CCC[C@@H]2OC(=O)N13
InChIInChI=1S/C12H17NO2/c1-2-9-5-3-7-12-8-4-6-10(12)15-11(14)13(9)12/h2,9-10H,1,3-8H2/t9-,10-,12+/m0/s1
InChIKeyWFUQYHGDZCJGHH-JBLDHEPKSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one with MolForge

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Related Compounds

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CID 102084985
(1R,2R,6R)-1,6-bis(ethenyl)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 11469283
13-butyl-8-oxa-6-azatricyclo[7.3.1.01,6]tridecan-7-one
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Frequently Asked Questions

What is the IUPAC name of (1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one?
The IUPAC name of (1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one (CID 11218018) is (1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one.
What is the SMILES notation for (1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one?
The canonical SMILES for (1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one is C=C[C@H]1CCC[C@@]23CCC[C@@H]2OC(=O)N13.
What is the InChIKey of (1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one?
The InChIKey is WFUQYHGDZCJGHH-JBLDHEPKSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-9-5-3-7-12-8-4-6-10(12)15-11(14)13(9)12/h2,9-10H,1,3-8H2/t9-,10-,12+/m0/s1.
What are the key properties of (1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one?
(1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one has a molecular weight of 207.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,9R)-9-ethenyl-6-oxa-8-azatricyclo[6.4.0.01,5]dodecan-7-one is sourced from PubChem (CID 11218018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).