(6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane

C16H29NO2 — CID 143845367

IUPAC(6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane
SMILESC=C1NC(=O)C(C)(C)O/C1=C/C(C)=C\C.CC.CC
InChIInChI=1S/C12H17NO2.2C2H6/c1-6-8(2)7-10-9(3)13-11(14)12(4,5)15-10;2*1-2/h6-7H,3H2,1-2,4-5H3,(H,13,14);2*1-2H3/b8-6-,10-7+;;
InChIKeyPNCYQASJNQBTEJ-UDTBOVSNSA-N
MW267.41 g/mol
LogP4.33
Rot. Bonds1

About (6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane

(6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane (PubChem CID 143845367) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane.

Molecular Properties

Compound Name(6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane
PubChem CID143845367
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane
SMILESC=C1NC(=O)C(C)(C)O/C1=C/C(C)=C\C.CC.CC
InChIInChI=1S/C12H17NO2.2C2H6/c1-6-8(2)7-10-9(3)13-11(14)12(4,5)15-10;2*1-2/h6-7H,3H2,1-2,4-5H3,(H,13,14);2*1-2H3/b8-6-,10-7+;;
InChIKeyPNCYQASJNQBTEJ-UDTBOVSNSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-ditert-butyl-2,2-dimethyl-4H-1,4-oxazin-3-one
CID 58990424
ethane;2,2,7-trimethyl-4H-1,4-benzoxazin-3-one
CID 143767422
5-ethenyl-2,2-dimethyl-6-[(Z)-5-(methylamino)pent-1-enyl]-4H-1,4-oxazin-3-one
CID 143587976
(1R,4S)-7-[(E)-2-methylbut-2-enylidene]-2,3-dioxabicyclo[2.2.1]heptane
CID 101416736
(2Z)-3-tert-butyl-4-methyl-2-[(E)-2-methylbut-2-enylidene]pyran
CID 102331246
4,5-dimethyl-5-(2-methylprop-1-enyl)oxolan-2-one
CID 539051
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
(4aR,5S,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one
CID 162903608
3-methyl-6-methylidenepiperazine-2,5-dione
CID 45117239
4-ethyl-4-methyl-3-methylideneoxetan-2-one
CID 15082531
8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 83754411
[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate
CID 59064357

Frequently Asked Questions

What is the IUPAC name of (6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane?
The IUPAC name of (6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane (CID 143845367) is (6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane.
What is the SMILES notation for (6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane?
The canonical SMILES for (6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane is C=C1NC(=O)C(C)(C)O/C1=C/C(C)=C\C.CC.CC.
What is the InChIKey of (6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane?
The InChIKey is PNCYQASJNQBTEJ-UDTBOVSNSA-N. The full InChI is InChI=1S/C12H17NO2.2C2H6/c1-6-8(2)7-10-9(3)13-11(14)12(4,5)15-10;2*1-2/h6-7H,3H2,1-2,4-5H3,(H,13,14);2*1-2H3/b8-6-,10-7+;;.
What are the key properties of (6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane?
(6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane has a molecular weight of 267.41 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,2-dimethyl-6-[(Z)-2-methylbut-2-enylidene]-5-methylidenemorpholin-3-one;ethane is sourced from PubChem (CID 143845367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).