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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Related Compounds

N,N-Diethyl-6-hydroxy-2-oxohexahydro-3,5-methano-2H-cyclopenta(b)furan-7-carboxamide
CID 23274847
N-(Sec-butyl)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxamide
CID 428432
5-oxo-N-propyl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 428429
5-oxo-N-propan-2-yl-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 428430
N-butyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 428431
N-ethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 428442
(9-Hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl) acetate
CID 57702226
[9-(Acetylcarbamoyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-dimethylbutanoate
CID 118910076
(1S,2S,3S,6R,7R,9S)-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 21632219
(1S,2S,3S,6R,7R,9S)-N-cyclohexyl-2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide
CID 46209716
9-Hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 50877538
N-ethyl-4-(9-hydroxy-4-oxo-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-5-yl)butanamide
CID 50877554

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).