1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one

C11H19NO2 — CID 134421524

IUPAC1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one
SMILESC=C[C@@H]1COCCN1C(=O)CC(C)C
InChIInChI=1S/C11H19NO2/c1-4-10-8-14-6-5-12(10)11(13)7-9(2)3/h4,9-10H,1,5-8H2,2-3H3/t10-/m1/s1
InChIKeyGQMZGQYHQSTTPU-SNVBAGLBSA-N
MW197.28 g/mol
LogP1.45
Rot. Bonds3

About 1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one

1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one (PubChem CID 134421524) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one
PubChem CID134421524
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one
SMILESC=C[C@@H]1COCCN1C(=O)CC(C)C
InChIInChI=1S/C11H19NO2/c1-4-10-8-14-6-5-12(10)11(13)7-9(2)3/h4,9-10H,1,5-8H2,2-3H3/t10-/m1/s1
InChIKeyGQMZGQYHQSTTPU-SNVBAGLBSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
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 1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one (CID 134421524) is 1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one is C=C[C@@H]1COCCN1C(=O)CC(C)C.
What is the InChIKey of 1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one?
The InChIKey is GQMZGQYHQSTTPU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-10-8-14-6-5-12(10)11(13)7-9(2)3/h4,9-10H,1,5-8H2,2-3H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one?
1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-ethenylmorpholin-4-yl]-3-methylbutan-1-one is sourced from PubChem (CID 134421524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).