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

C11H13NO4 — CID 85176895

IUPAC5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one
SMILESO=C1OC2C(O)C(=CCO)C3=CCCN1C32
InChIInChI=1S/C11H13NO4/c13-5-3-7-6-2-1-4-12-8(6)10(9(7)14)16-11(12)15/h2-3,8-10,13-14H,1,4-5H2
InChIKeyXGUFQWYNNZVQCB-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.20
Rot. Bonds1

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

5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one (PubChem CID 85176895) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one.

Molecular Properties

Compound Name5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one
PubChem CID85176895
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one
SMILESO=C1OC2C(O)C(=CCO)C3=CCCN1C32
InChIInChI=1S/C11H13NO4/c13-5-3-7-6-2-1-4-12-8(6)10(9(7)14)16-11(12)15/h2-3,8-10,13-14H,1,4-5H2
InChIKeyXGUFQWYNNZVQCB-UHFFFAOYSA-N
XLogP-0.20
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethylidene-5-hydroxy-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one
CID 57294463
(7S,8S,15S)-5,5-dimethyl-6,9-dioxa-11-aza-5-silatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2-dien-10-one
CID 11492657
3-oxo-1,5,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridine-1-carbaldehyde
CID 130035765
(4S,5S,6Z,7S,11S)-5-hydroxy-6-(tributylstannylmethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undecan-2-one
CID 11155948
potassium (5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 129317596
(9R,9aR)-9-hydroxy-5,6,9,9a-tetrahydro-1H-[1,3]oxazolo[3,4-a]azepin-3-one
CID 130977924
2-(3-cyclopropyl-2-oxo-1,3-oxazinan-6-yl)acetic acid
CID 117011037
6-(hydroxymethyl)-3-piperidin-4-yl-1,3-oxazinan-2-one
CID 117274614
(1S,6S,7R,8aS)-1-ethyl-6,7-dihydroxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 11310176
3-cyclohexyl-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 115064770
ethyl (1S,2S,4R)-5-methylidene-3-oxa-10-azatricyclo[4.4.0.02,4]dec-6-ene-10-carboxylate
CID 11572091
10,11-dihydroxy-6-(hydroxymethyl)-3-methyl-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 162933959

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one?
The IUPAC name of 5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one (CID 85176895) is 5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one.
What is the SMILES notation for 5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one?
The canonical SMILES for 5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one is O=C1OC2C(O)C(=CCO)C3=CCCN1C32.
What is the InChIKey of 5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one?
The InChIKey is XGUFQWYNNZVQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-5-3-7-6-2-1-4-12-8(6)10(9(7)14)16-11(12)15/h2-3,8-10,13-14H,1,4-5H2.
What are the key properties of 5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one?
5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one has a molecular weight of 223.23 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.04,11]undec-7-en-2-one is sourced from PubChem (CID 85176895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).