ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one

C12H23NO3 — CID 176934944

IUPACethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one
SMILESCC.CCN1C(=O)COC[C@@H]1C(=O)C(C)C
InChIInChI=1S/C10H17NO3.C2H6/c1-4-11-8(10(13)7(2)3)5-14-6-9(11)12;1-2/h7-8H,4-6H2,1-3H3;1-2H3/t8-;/m1./s1
InChIKeySBACKTMYOUXGEB-DDWIOCJRSA-N
MW229.32 g/mol
LogP1.49
Rot. Bonds3

About ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one

ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one (PubChem CID 176934944) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one.

Molecular Properties

Compound Nameethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one
PubChem CID176934944
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one
SMILESCC.CCN1C(=O)COC[C@@H]1C(=O)C(C)C
InChIInChI=1S/C10H17NO3.C2H6/c1-4-11-8(10(13)7(2)3)5-14-6-9(11)12;1-2/h7-8H,4-6H2,1-3H3;1-2H3/t8-;/m1./s1
InChIKeySBACKTMYOUXGEB-DDWIOCJRSA-N
XLogP1.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid
CID 115102644
N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774563
(5aR,9aR)-1-ethyl-5a,6,7,8,9,9a-hexahydro-5H-pyrido[4,3-e][1,4]oxazepin-2-one
CID 129322016
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
tert-butyl (3S)-3-butan-2-yl-5-oxomorpholine-4-carboxylate
CID 15235156
(5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one
CID 176934125
4-[3-(methylamino)propyl]-5-propan-2-ylmorpholin-3-one
CID 112546842
3-(5-oxo-4-propylmorpholin-3-yl)propanoic acid
CID 115060552
methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
5-oxo-4-phosphanylmorpholine-3-carboxylic acid
CID 20828180
5-oxo-N-(4-phenylbutan-2-yl)-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801175

Frequently Asked Questions

What is the IUPAC name of ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one?
The IUPAC name of ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one (CID 176934944) is ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one.
What is the SMILES notation for ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one?
The canonical SMILES for ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one is CC.CCN1C(=O)COC[C@@H]1C(=O)C(C)C.
What is the InChIKey of ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one?
The InChIKey is SBACKTMYOUXGEB-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H17NO3.C2H6/c1-4-11-8(10(13)7(2)3)5-14-6-9(11)12;1-2/h7-8H,4-6H2,1-3H3;1-2H3/t8-;/m1./s1.
What are the key properties of ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one?
ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one has a molecular weight of 229.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one is sourced from PubChem (CID 176934944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).