(2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine

C9H17NO — CID 51898166

IUPAC(2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine
SMILESC=CCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H17NO/c1-4-5-10-6-8(2)11-9(3)7-10/h4,8-9H,1,5-7H2,2-3H3/t8-,9-/m0/s1
InChIKeyRFPLPPUXBNRZKC-IUCAKERBSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds2

About (2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine

(2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine (PubChem CID 51898166) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine
PubChem CID51898166
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine
SMILESC=CCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H17NO/c1-4-5-10-6-8(2)11-9(3)7-10/h4,8-9H,1,5-7H2,2-3H3/t8-,9-/m0/s1
InChIKeyRFPLPPUXBNRZKC-IUCAKERBSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.28
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 (2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine (CID 51898166) is (2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine is C=CCN1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine?
The InChIKey is RFPLPPUXBNRZKC-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-10-6-8(2)11-9(3)7-10/h4,8-9H,1,5-7H2,2-3H3/t8-,9-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine?
(2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-prop-2-enylmorpholine is sourced from PubChem (CID 51898166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).