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

C16H25NO2 — CID 803988

IUPACmorpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
SMILESO=C(N1CCOCC1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C16H25NO2/c18-15(17-3-5-19-6-4-17)16-9-12-1-2-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2/t12-,13+,14?,16?
InChIKeyODNLNGNASOAADU-KKNUOHPOSA-N
MW263.38 g/mol
LogP2.45
Rot. Bonds1

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

morpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone (PubChem CID 803988) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is morpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
PubChem CID803988
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemorpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
SMILESO=C(N1CCOCC1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C16H25NO2/c18-15(17-3-5-19-6-4-17)16-9-12-1-2-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2/t12-,13+,14?,16?
InChIKeyODNLNGNASOAADU-KKNUOHPOSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Adamantanecarboxylic acid, morpholide
CID 532249
2-(1-Adamantyl)-1-morpholin-4-ylethanone
CID 2741140
Morpholin-4-yl-tricyclo[4.3.1.1*3,8*]undec-3-yl-methanone
CID 653746
Morpholin-4-yl(tricyclo[4.3.1.1~3,8~]undec-1-yl)methanone
CID 3110953
3,5-Dimethyladamantanyl 2,6-dimethylmorpholin-4-yl ketone
CID 6467638
4-(3,5-Dimethyladamantane-1-carbonyl)morpholine
CID 2918656
[(3R,5S)-3,5-dimethyl-1-adamantyl]-morpholin-4-ylmethanone
CID 800139
2-(1-Adamantyl)-1-morpholin-4-ylpropan-1-one
CID 176436213
1-(Tricyclo[4.3.1.1~3,8~]undec-1-ylcarbonyl)piperidine
CID 2850659
2-Morpholin-4-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
CID 2874633
4-(Bicyclo[4.1.0]hept-7-ylcarbonyl)morpholine
CID 23937529
Morpholin-4-yl-(1-propylcyclohexyl)methanone
CID 12769385

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone?
The IUPAC name of morpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone (CID 803988) is morpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone.
What is the SMILES notation for morpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone?
The canonical SMILES for morpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone is O=C(N1CCOCC1)C12CC3C[C@@H](CC[C@@H](C3)C1)C2.
What is the InChIKey of morpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone?
The InChIKey is ODNLNGNASOAADU-KKNUOHPOSA-N. The full InChI is InChI=1S/C16H25NO2/c18-15(17-3-5-19-6-4-17)16-9-12-1-2-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2/t12-,13+,14?,16?.
What are the key properties of morpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone?
morpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone has a molecular weight of 263.38 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone is sourced from PubChem (CID 803988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).