1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one

C10H13NO3 — CID 100954291

IUPAC1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one
SMILESCN1CC2C3C=CC(O)(C(=O)O3)C2C1
InChIInChI=1S/C10H13NO3/c1-11-4-6-7(5-11)10(13)3-2-8(6)14-9(10)12/h2-3,6-8,13H,4-5H2,1H3
InChIKeyBTMBDKOLDCCUKI-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.61
Rot. Bonds

About 1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one

1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one (PubChem CID 100954291) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one.

Molecular Properties

Compound Name1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one
PubChem CID100954291
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one
SMILESCN1CC2C3C=CC(O)(C(=O)O3)C2C1
InChIInChI=1S/C10H13NO3/c1-11-4-6-7(5-11)10(13)3-2-8(6)14-9(10)12/h2-3,6-8,13H,4-5H2,1H3
InChIKeyBTMBDKOLDCCUKI-UHFFFAOYSA-N
XLogP-0.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione
CID 85344783
(1R,2S,6R,7R)-1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione
CID 10955182
(1R,2R,6S,7R)-1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione
CID 15781229
(1S,2R,6S,7S)-1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione
CID 101051178

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one?
The IUPAC name of 1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one (CID 100954291) is 1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one.
What is the SMILES notation for 1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one?
The canonical SMILES for 1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one is CN1CC2C3C=CC(O)(C(=O)O3)C2C1.
What is the InChIKey of 1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one?
The InChIKey is BTMBDKOLDCCUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11-4-6-7(5-11)10(13)3-2-8(6)14-9(10)12/h2-3,6-8,13H,4-5H2,1H3.
What are the key properties of 1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one?
1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one has a molecular weight of 195.22 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methyl-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-en-9-one is sourced from PubChem (CID 100954291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).