2-methyl-5-morpholin-4-ylpent-3-yn-2-ol

C10H17NO2 — CID 869482

IUPAC2-methyl-5-morpholin-4-ylpent-3-yn-2-ol
SMILESCC(C)(O)C#CCN1CCOCC1
InChIInChI=1S/C10H17NO2/c1-10(2,12)4-3-5-11-6-8-13-9-7-11/h12H,5-9H2,1-2H3
InChIKeyIJKUNVAHFUUMMT-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.09
Rot. Bonds1

About 2-methyl-5-morpholin-4-ylpent-3-yn-2-ol

2-methyl-5-morpholin-4-ylpent-3-yn-2-ol (PubChem CID 869482) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-ylpent-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-ylpent-3-yn-2-ol
PubChem CID869482
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-methyl-5-morpholin-4-ylpent-3-yn-2-ol
SMILESCC(C)(O)C#CCN1CCOCC1
InChIInChI=1S/C10H17NO2/c1-10(2,12)4-3-5-11-6-8-13-9-7-11/h12H,5-9H2,1-2H3
InChIKeyIJKUNVAHFUUMMT-UHFFFAOYSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.09
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 2-methyl-5-morpholin-4-ylpent-3-yn-2-ol?
The IUPAC name of 2-methyl-5-morpholin-4-ylpent-3-yn-2-ol (CID 869482) is 2-methyl-5-morpholin-4-ylpent-3-yn-2-ol.
What is the SMILES notation for 2-methyl-5-morpholin-4-ylpent-3-yn-2-ol?
The canonical SMILES for 2-methyl-5-morpholin-4-ylpent-3-yn-2-ol is CC(C)(O)C#CCN1CCOCC1.
What is the InChIKey of 2-methyl-5-morpholin-4-ylpent-3-yn-2-ol?
The InChIKey is IJKUNVAHFUUMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,12)4-3-5-11-6-8-13-9-7-11/h12H,5-9H2,1-2H3.
What are the key properties of 2-methyl-5-morpholin-4-ylpent-3-yn-2-ol?
2-methyl-5-morpholin-4-ylpent-3-yn-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-ylpent-3-yn-2-ol is sourced from PubChem (CID 869482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).