6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one

C11H13NO3 — CID 57294463

IUPAC6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one
SMILESCC=C1C2=CCCN3C(=O)OC(C1O)C23
InChIInChI=1S/C11H13NO3/c1-2-6-7-4-3-5-12-8(7)10(9(6)13)15-11(12)14/h2,4,8-10,13H,3,5H2,1H3
InChIKeyOJIUACOQFBQCDF-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.83
Rot. Bonds

About 6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one

6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one (PubChem CID 57294463) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one.

Molecular Properties

Compound Name6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one
PubChem CID57294463
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one
SMILESCC=C1C2=CCCN3C(=O)OC(C1O)C23
InChIInChI=1S/C11H13NO3/c1-2-6-7-4-3-5-12-8(7)10(9(6)13)15-11(12)14/h2,4,8-10,13H,3,5H2,1H3
InChIKeyOJIUACOQFBQCDF-UHFFFAOYSA-N
XLogP0.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Streptazolin
CID 11769676
5-O-beta-D-Xylopyranosylstreptazolin
CID 10735805
9-Hydroxystreptazolin
CID 10704304
13-Hydroxystreptazolin
CID 10537043
(5S,6Z)-6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one
CID 163076610
ethyl (5Z,6S,7S,7aS)-5-ethylidene-6,7-dihydroxy-3,6,7,7a-tetrahydro-2H-cyclopenta[b]pyridine-1-carboxylate
CID 11831943
(4S,5S,6E,11S)-6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one
CID 11171781
(4S,5S,6Z,11S)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethylidene-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one
CID 11056347
ethyl (5Z,6S,7S,7aS)-7-(2,2-dimethylpropanoyloxy)-5-ethylidene-6-hydroxy-3,6,7,7a-tetrahydro-2H-cyclopenta[b]pyridine-1-carboxylate
CID 11602485
(4S,5S,6Z)-6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one
CID 134858798
(4S,5S,6Z,11S)-6-ethylidene-5-methoxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one
CID 134907645
[(4S,5S,6Z,11S)-6-ethylidene-2-oxo-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-5-yl] acetate
CID 21603247

Frequently Asked Questions

What is the IUPAC name of 6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one?
The IUPAC name of 6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one (CID 57294463) is 6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one.
What is the SMILES notation for 6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one?
The canonical SMILES for 6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one is CC=C1C2=CCCN3C(=O)OC(C1O)C23.
What is the InChIKey of 6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one?
The InChIKey is OJIUACOQFBQCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-6-7-4-3-5-12-8(7)10(9(6)13)15-11(12)14/h2,4,8-10,13H,3,5H2,1H3.
What are the key properties of 6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one?
6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one is sourced from PubChem (CID 57294463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).