3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)-

C10H17NO2 — CID 869482

IUPAC2-methyl-5-morpholin-4-ylpent-3-yn-2-ol
SMILESCC(C)(C#CCN1CCOCC1)O
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
LogP-0.10
Rot. Bonds2

About 3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)-

3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)- (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 Name3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)-
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)(C#CCN1CCOCC1)O
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
XLogP-0.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity218

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.10
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-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)-?
The IUPAC name of 3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)- (CID 869482) is 2-methyl-5-morpholin-4-ylpent-3-yn-2-ol.
What is the SMILES notation for 3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)-?
The canonical SMILES for 3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)- is CC(C)(C#CCN1CCOCC1)O.
What is the InChIKey of 3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)-?
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 3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)-?
3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)- has a molecular weight of 183.25 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Pentyn-2-ol, 2-methyl-5-(4-morpholinyl)- is sourced from PubChem (CID 869482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).