1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one

C10H17NO3 — CID 166408409

IUPAC1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1C[C@H](CO)OC(C)(C)C1
InChIInChI=1S/C10H17NO3/c1-4-9(13)11-5-8(6-12)14-10(2,3)7-11/h4,8,12H,1,5-7H2,2-3H3/t8-/m1/s1
InChIKeyIDPCTHOHVDDYFU-MRVPVSSYSA-N
MW199.25 g/mol
LogP0.17
Rot. Bonds2

About 1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one

1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one (PubChem CID 166408409) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
PubChem CID166408409
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)N1C[C@H](CO)OC(C)(C)C1
InChIInChI=1S/C10H17NO3/c1-4-9(13)11-5-8(6-12)14-10(2,3)7-11/h4,8,12H,1,5-7H2,2-3H3/t8-/m1/s1
InChIKeyIDPCTHOHVDDYFU-MRVPVSSYSA-N
XLogP0.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one (CID 166408409) is 1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one is C=CC(=O)N1C[C@H](CO)OC(C)(C)C1.
What is the InChIKey of 1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one?
The InChIKey is IDPCTHOHVDDYFU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-9(13)11-5-8(6-12)14-10(2,3)7-11/h4,8,12H,1,5-7H2,2-3H3/t8-/m1/s1.
What are the key properties of 1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one?
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one has a molecular weight of 199.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 166408409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).