3-but-2-en-2-yl-2,6-dimethylmorpholine

C10H19NO — CID 142945371

IUPAC3-but-2-en-2-yl-2,6-dimethylmorpholine
SMILESCC=C(C)C1NCC(C)OC1C
InChIInChI=1S/C10H19NO/c1-5-7(2)10-9(4)12-8(3)6-11-10/h5,8-11H,6H2,1-4H3
InChIKeyQAZKGBIBUKVKON-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds1

About 3-but-2-en-2-yl-2,6-dimethylmorpholine

3-but-2-en-2-yl-2,6-dimethylmorpholine (PubChem CID 142945371) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-but-2-en-2-yl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name3-but-2-en-2-yl-2,6-dimethylmorpholine
PubChem CID142945371
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-but-2-en-2-yl-2,6-dimethylmorpholine
SMILESCC=C(C)C1NCC(C)OC1C
InChIInChI=1S/C10H19NO/c1-5-7(2)10-9(4)12-8(3)6-11-10/h5,8-11H,6H2,1-4H3
InChIKeyQAZKGBIBUKVKON-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-Fluorocyclohepta-1,3,6-trien-1-yl)methyl]-5-methylmorpholine
CID 91350994
Crotyl(3-isopropenyl-2-yl)morpholinium bromide
CID 129795383
Morpholine, 5-(2,4-heptadienyl)-2-methyl-
CID 5375413
3-But-2-enylmorpholine
CID 54355890
4-Methyl-3-oct-2-en-2-ylmorpholine
CID 54484538
(2S,5R)-5-methyl-2-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213111
(2S,5R)-5-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213158
(5S)-5-methyl-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]morpholine
CID 68213159
(2S,5S)-5-methyl-2-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213204
2-Hept-2-enylmorpholine
CID 68588235
2-Pent-2-enylmorpholine
CID 68589738
2-Hex-2-enylmorpholine
CID 68590106

Frequently Asked Questions

What is the IUPAC name of 3-but-2-en-2-yl-2,6-dimethylmorpholine?
The IUPAC name of 3-but-2-en-2-yl-2,6-dimethylmorpholine (CID 142945371) is 3-but-2-en-2-yl-2,6-dimethylmorpholine.
What is the SMILES notation for 3-but-2-en-2-yl-2,6-dimethylmorpholine?
The canonical SMILES for 3-but-2-en-2-yl-2,6-dimethylmorpholine is CC=C(C)C1NCC(C)OC1C.
What is the InChIKey of 3-but-2-en-2-yl-2,6-dimethylmorpholine?
The InChIKey is QAZKGBIBUKVKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-7(2)10-9(4)12-8(3)6-11-10/h5,8-11H,6H2,1-4H3.
What are the key properties of 3-but-2-en-2-yl-2,6-dimethylmorpholine?
3-but-2-en-2-yl-2,6-dimethylmorpholine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-en-2-yl-2,6-dimethylmorpholine is sourced from PubChem (CID 142945371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).