3-methyl-6-morpholin-4-ylhex-4-yn-3-ol

C11H19NO2 — CID 3499738

IUPAC3-methyl-6-morpholin-4-ylhex-4-yn-3-ol
SMILESCCC(C)(O)C#CCN1CCOCC1
InChIInChI=1S/C11H19NO2/c1-3-11(2,13)5-4-6-12-7-9-14-10-8-12/h13H,3,6-10H2,1-2H3
InChIKeyBBOLWLBYIPIKCH-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.48
Rot. Bonds2

About 3-methyl-6-morpholin-4-ylhex-4-yn-3-ol

3-methyl-6-morpholin-4-ylhex-4-yn-3-ol (PubChem CID 3499738) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methyl-6-morpholin-4-ylhex-4-yn-3-ol.

Molecular Properties

Compound Name3-methyl-6-morpholin-4-ylhex-4-yn-3-ol
PubChem CID3499738
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-methyl-6-morpholin-4-ylhex-4-yn-3-ol
SMILESCCC(C)(O)C#CCN1CCOCC1
InChIInChI=1S/C11H19NO2/c1-3-11(2,13)5-4-6-12-7-9-14-10-8-12/h13H,3,6-10H2,1-2H3
InChIKeyBBOLWLBYIPIKCH-UHFFFAOYSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-morpholin-4-ylhex-4-yn-3-ol?
The IUPAC name of 3-methyl-6-morpholin-4-ylhex-4-yn-3-ol (CID 3499738) is 3-methyl-6-morpholin-4-ylhex-4-yn-3-ol.
What is the SMILES notation for 3-methyl-6-morpholin-4-ylhex-4-yn-3-ol?
The canonical SMILES for 3-methyl-6-morpholin-4-ylhex-4-yn-3-ol is CCC(C)(O)C#CCN1CCOCC1.
What is the InChIKey of 3-methyl-6-morpholin-4-ylhex-4-yn-3-ol?
The InChIKey is BBOLWLBYIPIKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-11(2,13)5-4-6-12-7-9-14-10-8-12/h13H,3,6-10H2,1-2H3.
What are the key properties of 3-methyl-6-morpholin-4-ylhex-4-yn-3-ol?
3-methyl-6-morpholin-4-ylhex-4-yn-3-ol has a molecular weight of 197.28 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-morpholin-4-ylhex-4-yn-3-ol is sourced from PubChem (CID 3499738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).