(2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one

C8H13NO3 — CID 89318273

IUPAC(2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@]1(C)OCCN(O)C1=O
InChIInChI=1S/C8H13NO3/c1-3-4-8(2)7(10)9(11)5-6-12-8/h3,11H,1,4-6H2,2H3/t8-/m0/s1
InChIKeyIVZBCAXUZDHLPZ-QMMMGPOBSA-N
MW171.20 g/mol
LogP0.57
Rot. Bonds2

About (2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one

(2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one (PubChem CID 89318273) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one
PubChem CID89318273
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@]1(C)OCCN(O)C1=O
InChIInChI=1S/C8H13NO3/c1-3-4-8(2)7(10)9(11)5-6-12-8/h3,11H,1,4-6H2,2H3/t8-/m0/s1
InChIKeyIVZBCAXUZDHLPZ-QMMMGPOBSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one?
The IUPAC name of (2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one (CID 89318273) is (2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one.
What is the SMILES notation for (2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one?
The canonical SMILES for (2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one is C=CC[C@]1(C)OCCN(O)C1=O.
What is the InChIKey of (2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one?
The InChIKey is IVZBCAXUZDHLPZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-4-8(2)7(10)9(11)5-6-12-8/h3,11H,1,4-6H2,2H3/t8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one?
(2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one has a molecular weight of 171.20 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-methyl-2-prop-2-enylmorpholin-3-one is sourced from PubChem (CID 89318273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).