2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone

C17H27NO2 — CID 876823

IUPAC2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
SMILESO=C(CN1CCOCC1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C17H27NO2/c19-16(12-18-3-5-20-6-4-18)17-9-13-1-2-14(10-17)8-15(7-13)11-17/h13-15H,1-12H2/t13-,14+,15?,17?
InChIKeyQZWLBNFPJKJSKQ-KWOWKCNFSA-N
MW277.41 g/mol
LogP2.49
Rot. Bonds3

About 2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone

2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone (PubChem CID 876823) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
PubChem CID876823
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone
SMILESO=C(CN1CCOCC1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C17H27NO2/c19-16(12-18-3-5-20-6-4-18)17-9-13-1-2-14(10-17)8-15(7-13)11-17/h13-15H,1-12H2/t13-,14+,15?,17?
InChIKeyQZWLBNFPJKJSKQ-KWOWKCNFSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone (CID 876823) is 2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone is O=C(CN1CCOCC1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2.
What is the InChIKey of 2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
The InChIKey is QZWLBNFPJKJSKQ-KWOWKCNFSA-N. The full InChI is InChI=1S/C17H27NO2/c19-16(12-18-3-5-20-6-4-18)17-9-13-1-2-14(10-17)8-15(7-13)11-17/h13-15H,1-12H2/t13-,14+,15?,17?.
What are the key properties of 2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone?
2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone has a molecular weight of 277.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]ethanone is sourced from PubChem (CID 876823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).