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

C8H13NO2 — CID 89318255

IUPAC(2S)-2-methyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@]1(C)OCCNC1=O
InChIInChI=1S/C8H13NO2/c1-3-4-8(2)7(10)9-5-6-11-8/h3H,1,4-6H2,2H3,(H,9,10)/t8-/m0/s1
InChIKeyABDYSWTYRSODLQ-QMMMGPOBSA-N
MW155.20 g/mol
LogP0.47
Rot. Bonds2

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

(2S)-2-methyl-2-prop-2-enylmorpholin-3-one (PubChem CID 89318255) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S)-2-methyl-2-prop-2-enylmorpholin-3-one.

Molecular Properties

Compound Name(2S)-2-methyl-2-prop-2-enylmorpholin-3-one
PubChem CID89318255
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2S)-2-methyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@]1(C)OCCNC1=O
InChIInChI=1S/C8H13NO2/c1-3-4-8(2)7(10)9-5-6-11-8/h3H,1,4-6H2,2H3,(H,9,10)/t8-/m0/s1
InChIKeyABDYSWTYRSODLQ-QMMMGPOBSA-N
XLogP0.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-prop-2-enylmorpholin-3-one?
The IUPAC name of (2S)-2-methyl-2-prop-2-enylmorpholin-3-one (CID 89318255) is (2S)-2-methyl-2-prop-2-enylmorpholin-3-one.
What is the SMILES notation for (2S)-2-methyl-2-prop-2-enylmorpholin-3-one?
The canonical SMILES for (2S)-2-methyl-2-prop-2-enylmorpholin-3-one is C=CC[C@]1(C)OCCNC1=O.
What is the InChIKey of (2S)-2-methyl-2-prop-2-enylmorpholin-3-one?
The InChIKey is ABDYSWTYRSODLQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-4-8(2)7(10)9-5-6-11-8/h3H,1,4-6H2,2H3,(H,9,10)/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-2-prop-2-enylmorpholin-3-one?
(2S)-2-methyl-2-prop-2-enylmorpholin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-prop-2-enylmorpholin-3-one is sourced from PubChem (CID 89318255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).