ethane;(6S)-6-methylmorpholin-3-one

C7H15NO2 — CID 144732959

IUPACethane;(6S)-6-methylmorpholin-3-one
SMILESCC.C[C@H]1CNC(=O)CO1
InChIInChI=1S/C5H9NO2.C2H6/c1-4-2-6-5(7)3-8-4;1-2/h4H,2-3H2,1H3,(H,6,7);1-2H3/t4-;/m0./s1
InChIKeyOYFQREMYLBJSCU-WCCKRBBISA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds

About ethane;(6S)-6-methylmorpholin-3-one

ethane;(6S)-6-methylmorpholin-3-one (PubChem CID 144732959) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethane;(6S)-6-methylmorpholin-3-one.

Molecular Properties

Compound Nameethane;(6S)-6-methylmorpholin-3-one
PubChem CID144732959
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethane;(6S)-6-methylmorpholin-3-one
SMILESCC.C[C@H]1CNC(=O)CO1
InChIInChI=1S/C5H9NO2.C2H6/c1-4-2-6-5(7)3-8-4;1-2/h4H,2-3H2,1H3,(H,6,7);1-2H3/t4-;/m0./s1
InChIKeyOYFQREMYLBJSCU-WCCKRBBISA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethylmorpholin-3-one
CID 77393291
6,9,10-trimethyl-1,4,7-oxadiazecane-3,8-dione
CID 20681320
6-(difluoromethyl)morpholin-3-one
CID 178200561
6-(1-methoxyethyl)morpholin-3-one
CID 131048129
6-(aminomethyl)morpholin-3-one;hydrochloride
CID 22612261
6-(ethylaminomethyl)morpholin-3-one
CID 105430931
2-(5-oxomorpholin-2-yl)acetic acid
CID 83815625
3-methyl-1,2,3,5-tetrahydro-4,1-benzoxazepine
CID 101113946
6-(3-aminopropyl)morpholin-3-one
CID 115060325
6-(1-ethylpiperidin-3-yl)morpholin-3-one
CID 117159065
CID 66603050
CID 66603050
(5R)-4,5-dimethylpiperidin-2-one
CID 55298895

Frequently Asked Questions

What is the IUPAC name of ethane;(6S)-6-methylmorpholin-3-one?
The IUPAC name of ethane;(6S)-6-methylmorpholin-3-one (CID 144732959) is ethane;(6S)-6-methylmorpholin-3-one.
What is the SMILES notation for ethane;(6S)-6-methylmorpholin-3-one?
The canonical SMILES for ethane;(6S)-6-methylmorpholin-3-one is CC.C[C@H]1CNC(=O)CO1.
What is the InChIKey of ethane;(6S)-6-methylmorpholin-3-one?
The InChIKey is OYFQREMYLBJSCU-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.C2H6/c1-4-2-6-5(7)3-8-4;1-2/h4H,2-3H2,1H3,(H,6,7);1-2H3/t4-;/m0./s1.
What are the key properties of ethane;(6S)-6-methylmorpholin-3-one?
ethane;(6S)-6-methylmorpholin-3-one has a molecular weight of 145.20 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6S)-6-methylmorpholin-3-one is sourced from PubChem (CID 144732959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).