2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

C15H21NO5 — CID 166930158

IUPAC2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESO=C(OCCN1CCOCC1)C1C2CC3OC(=O)C1C3C2
InChIInChI=1S/C15H21NO5/c17-14(20-6-3-16-1-4-19-5-2-16)12-9-7-10-11(8-9)21-15(18)13(10)12/h9-13H,1-8H2
InChIKeyCDZMUFANPBOFOU-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.06
Rot. Bonds4

About 2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (PubChem CID 166930158) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
PubChem CID166930158
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESO=C(OCCN1CCOCC1)C1C2CC3OC(=O)C1C3C2
InChIInChI=1S/C15H21NO5/c17-14(20-6-3-16-1-4-19-5-2-16)12-9-7-10-11(8-9)21-15(18)13(10)12/h9-13H,1-8H2
InChIKeyCDZMUFANPBOFOU-UHFFFAOYSA-N
XLogP0.06
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate with MolForge

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Related Compounds

2-thiomorpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 168743899
(2-anilino-2-oxoethyl) (1R,3R,6S,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 11903575
(2-anilino-2-oxoethyl) (1R,3R,6S,7R,9S)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 11903576
2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate
CID 59204120
2-morpholin-4-ylethyl cyclohexanecarboxylate
CID 21150298
[2-(4-acetylanilino)-2-oxoethyl] (1R,3S,6S,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 124766217
[2-(3-chloroanilino)-2-oxoethyl] 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 3164215
[2-(2,3-dimethylanilino)-2-oxoethyl] (1R,3R,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 51890912
2-piperidin-1-ylethyl adamantane-2-carboxylate
CID 59383787
2-morpholin-4-ylethyl 1-ethylpiperidine-4-carboxylate
CID 118534909
2-morpholin-4-ylethyl piperidine-4-carboxylate;hydrochloride
CID 118522364
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (CID 166930158) is 2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is O=C(OCCN1CCOCC1)C1C2CC3OC(=O)C1C3C2.
What is the InChIKey of 2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The InChIKey is CDZMUFANPBOFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c17-14(20-6-3-16-1-4-19-5-2-16)12-9-7-10-11(8-9)21-15(18)13(10)12/h9-13H,1-8H2.
What are the key properties of 2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is sourced from PubChem (CID 166930158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).