(2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one

C16H28N2O3 — CID 165109302

IUPAC(2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@@]1(C)CNCCO1.C=CC[C@]1(C)OCCNC1=O
InChIInChI=1S/C8H13NO2.C8H15NO/c1-3-4-8(2)7(10)9-5-6-11-8;1-3-4-8(2)7-9-5-6-10-8/h3H,1,4-6H2,2H3,(H,9,10);3,9H,1,4-7H2,2H3/t2*8-/m00/s1
InChIKeyZRIBQRWFQKYICT-GRHHLOCNSA-N
MW296.41 g/mol
LogP1.41
Rot. Bonds4

About (2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one

(2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one (PubChem CID 165109302) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one.

Molecular Properties

Compound Name(2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one
PubChem CID165109302
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@@]1(C)CNCCO1.C=CC[C@]1(C)OCCNC1=O
InChIInChI=1S/C8H13NO2.C8H15NO/c1-3-4-8(2)7(10)9-5-6-11-8;1-3-4-8(2)7-9-5-6-10-8/h3H,1,4-6H2,2H3,(H,9,10);3,9H,1,4-7H2,2H3/t2*8-/m00/s1
InChIKeyZRIBQRWFQKYICT-GRHHLOCNSA-N
XLogP1.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-prop-2-enylmorpholine
CID 21429943
[(2R)-2-methylmorpholin-2-yl]methanol
CID 162361659
(2-methylmorpholin-2-yl)methanol
CID 135262535
2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
CID 142640587
2-ethyl-2-phenylmorpholine
CID 21410904
2-methyl-2-(2-methylpropyl)morpholine
CID 65122296
CID 153398802
CID 153398802
(3R)-3-(aminomethyl)-3-prop-2-enylpyrrolidin-2-one
CID 125425373
2-dodecyl-2-methylmorpholine;hydrobromide
CID 173402578
azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride
CID 174816672
(7R)-7-methyl-7-prop-2-enyloxepan-2-one
CID 146173300
1-(2-methoxymorpholin-2-yl)propan-1-one
CID 174878714

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one?
The IUPAC name of (2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one (CID 165109302) is (2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one.
What is the SMILES notation for (2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one?
The canonical SMILES for (2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one is C=CC[C@@]1(C)CNCCO1.C=CC[C@]1(C)OCCNC1=O.
What is the InChIKey of (2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one?
The InChIKey is ZRIBQRWFQKYICT-GRHHLOCNSA-N. The full InChI is InChI=1S/C8H13NO2.C8H15NO/c1-3-4-8(2)7(10)9-5-6-11-8;1-3-4-8(2)7-9-5-6-10-8/h3H,1,4-6H2,2H3,(H,9,10);3,9H,1,4-7H2,2H3/t2*8-/m00/s1.
What are the key properties of (2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one?
(2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one has a molecular weight of 296.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-prop-2-enylmorpholine;(2S)-2-methyl-2-prop-2-enylmorpholin-3-one is sourced from PubChem (CID 165109302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).