N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

C11H15NO4 — CID 23424506

IUPACN-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
SMILESCCNC(=O)C1C2CC3C(OC(=O)C31)C2O
InChIInChI=1S/C11H15NO4/c1-2-12-10(14)6-4-3-5-7(6)11(15)16-9(5)8(4)13/h4-9,13H,2-3H2,1H3,(H,12,14)
InChIKeyQNQXJHJIDDCSAI-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.71
Rot. Bonds2

About N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide (PubChem CID 23424506) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
PubChem CID23424506
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
SMILESCCNC(=O)C1C2CC3C(OC(=O)C31)C2O
InChIInChI=1S/C11H15NO4/c1-2-12-10(14)6-4-3-5-7(6)11(15)16-9(5)8(4)13/h4-9,13H,2-3H2,1H3,(H,12,14)
InChIKeyQNQXJHJIDDCSAI-UHFFFAOYSA-N
XLogP-0.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The IUPAC name of N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide (CID 23424506) is N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide.
What is the SMILES notation for N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The canonical SMILES for N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is CCNC(=O)C1C2CC3C(OC(=O)C31)C2O.
What is the InChIKey of N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
The InChIKey is QNQXJHJIDDCSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-12-10(14)6-4-3-5-7(6)11(15)16-9(5)8(4)13/h4-9,13H,2-3H2,1H3,(H,12,14).
What are the key properties of N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide?
N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide has a molecular weight of 225.24 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide is sourced from PubChem (CID 23424506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).