(2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one

C10H17NO2 — CID 96581630

IUPAC(2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1[C@H]1COCCN1
InChIInChI=1S/C10H17NO2/c12-10-4-2-1-3-8(10)9-7-13-6-5-11-9/h8-9,11H,1-7H2/t8-,9+/m0/s1
InChIKeyNCQBNMVGQRGUHD-DTWKUNHWSA-N
MW183.25 g/mol
LogP0.73
Rot. Bonds1

About (2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one

(2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one (PubChem CID 96581630) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one
PubChem CID96581630
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one
SMILESO=C1CCCC[C@H]1[C@H]1COCCN1
InChIInChI=1S/C10H17NO2/c12-10-4-2-1-3-8(10)9-7-13-6-5-11-9/h8-9,11H,1-7H2/t8-,9+/m0/s1
InChIKeyNCQBNMVGQRGUHD-DTWKUNHWSA-N
XLogP0.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-3-ylcyclohexan-1-one;hydrochloride
CID 71756316
2-(5-methylmorpholin-3-yl)cycloheptan-1-one
CID 116685230
(2R)-2-[(2S)-pyrrolidin-2-yl]cyclopentan-1-one
CID 97048991
(4aR,8aS)-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-one
CID 70494313
2,3,4a,5,7,7a-hexahydro-1H-furo[3,4-b]pyridin-4-one
CID 83913979
3-cyclohexylmorpholine
CID 54373245
(3S)-3-[(3S)-morpholin-3-yl]morpholine
CID 11693975
(4S)-4-[(1S)-2-oxocyclooctyl]azetidin-2-one
CID 10932352
2-(azepan-2-yl)cycloheptane-1,3-dione
CID 107430820
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314
2-morpholin-3-ylcyclohex-3-en-1-one
CID 155073585
(4R)-4-[(1S)-2-oxocyclopentyl]azetidin-2-one
CID 93233733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one?
The IUPAC name of (2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one (CID 96581630) is (2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one.
What is the SMILES notation for (2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one?
The canonical SMILES for (2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one is O=C1CCCC[C@H]1[C@H]1COCCN1.
What is the InChIKey of (2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one?
The InChIKey is NCQBNMVGQRGUHD-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10-4-2-1-3-8(10)9-7-13-6-5-11-9/h8-9,11H,1-7H2/t8-,9+/m0/s1.
What are the key properties of (2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one?
(2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one is sourced from PubChem (CID 96581630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).