morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone

C12H21NO2 — CID 58110972

IUPACmorpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone
SMILESC[C@@H]1C[C@H](C(=O)N2CCOCC2)C1(C)C
InChIInChI=1S/C12H21NO2/c1-9-8-10(12(9,2)3)11(14)13-4-6-15-7-5-13/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyMKGCYHSPGXCDSN-NXEZZACHSA-N
MW211.30 g/mol
LogP1.53
Rot. Bonds1

About morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone

morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone (PubChem CID 58110972) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone
PubChem CID58110972
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemorpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone
SMILESC[C@@H]1C[C@H](C(=O)N2CCOCC2)C1(C)C
InChIInChI=1S/C12H21NO2/c1-9-8-10(12(9,2)3)11(14)13-4-6-15-7-5-13/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyMKGCYHSPGXCDSN-NXEZZACHSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-1-(4-morpholinyl)-1-hexanone
CID 98991
(1-Methyl-cyclohexyl)-morpholin-4-yl-methanone
CID 1103446
Morpholine, 4-(2,2-dimethylvaleryl)-
CID 202710
2-Ethyl-2-methyl-1-(morpholin-4-yl)hexan-1-one
CID 202711
Cyclopentanecarboxylic acid, morpholide
CID 531881
Morpholine, 4-(2-propylvaleryl)-
CID 200760
Morpholine,4-(2,2,4,4-tetramethylvaleryl)-
CID 208727
2-Methyl-1-morpholin-4-ylpentan-1-one
CID 4631081
2,6-Dimethylmorpholin-4-yl cyclobutyl ketone
CID 4113356
(3-Cyclobutylmorpholin-4-yl)-spiro[2.2]pentan-2-ylmethanone
CID 128924122
(3,3-Difluoro-1-propan-2-ylcyclobutyl)-morpholin-4-ylmethanone
CID 134302926
(1-Ethyl-3,3-difluorocyclobutyl)-morpholin-4-ylmethanone
CID 160732165

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone?
The IUPAC name of morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone (CID 58110972) is morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone.
What is the SMILES notation for morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone?
The canonical SMILES for morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone is C[C@@H]1C[C@H](C(=O)N2CCOCC2)C1(C)C.
What is the InChIKey of morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone?
The InChIKey is MKGCYHSPGXCDSN-NXEZZACHSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-8-10(12(9,2)3)11(14)13-4-6-15-7-5-13/h9-10H,4-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone?
morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone has a molecular weight of 211.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(1S,3R)-2,2,3-trimethylcyclobutyl]methanone is sourced from PubChem (CID 58110972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).