(2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine

C9H17NO — CID 130456760

IUPAC(2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine
SMILESCC(C)=C[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C9H17NO/c1-7(2)6-9-8(3)11-5-4-10-9/h6,8-10H,4-5H2,1-3H3/t8-,9-/m1/s1
InChIKeyWXLJVGQPJRHBKA-RKDXNWHRSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds1

About (2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine

(2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine (PubChem CID 130456760) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine
PubChem CID130456760
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine
SMILESCC(C)=C[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C9H17NO/c1-7(2)6-9-8(3)11-5-4-10-9/h6,8-10H,4-5H2,1-3H3/t8-,9-/m1/s1
InChIKeyWXLJVGQPJRHBKA-RKDXNWHRSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
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 (2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine?
The IUPAC name of (2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine (CID 130456760) is (2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine.
What is the SMILES notation for (2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine?
The canonical SMILES for (2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine is CC(C)=C[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine?
The InChIKey is WXLJVGQPJRHBKA-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)6-9-8(3)11-5-4-10-9/h6,8-10H,4-5H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine?
(2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine is sourced from PubChem (CID 130456760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).