4-but-3-ynyl-2,2-dimethylmorpholine

C10H17NO — CID 63657448

IUPAC4-but-3-ynyl-2,2-dimethylmorpholine
SMILESC#CCCN1CCOC(C)(C)C1
InChIInChI=1S/C10H17NO/c1-4-5-6-11-7-8-12-10(2,3)9-11/h1H,5-9H2,2-3H3
InChIKeyYPTQOQUKOUFXHZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.12
Rot. Bonds2

About 4-but-3-ynyl-2,2-dimethylmorpholine

4-but-3-ynyl-2,2-dimethylmorpholine (PubChem CID 63657448) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-but-3-ynyl-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-but-3-ynyl-2,2-dimethylmorpholine
PubChem CID63657448
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-but-3-ynyl-2,2-dimethylmorpholine
SMILESC#CCCN1CCOC(C)(C)C1
InChIInChI=1S/C10H17NO/c1-4-5-6-11-7-8-12-10(2,3)9-11/h1H,5-9H2,2-3H3
InChIKeyYPTQOQUKOUFXHZ-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-but-3-ynyl-2,2-dimethylmorpholine?
The IUPAC name of 4-but-3-ynyl-2,2-dimethylmorpholine (CID 63657448) is 4-but-3-ynyl-2,2-dimethylmorpholine.
What is the SMILES notation for 4-but-3-ynyl-2,2-dimethylmorpholine?
The canonical SMILES for 4-but-3-ynyl-2,2-dimethylmorpholine is C#CCCN1CCOC(C)(C)C1.
What is the InChIKey of 4-but-3-ynyl-2,2-dimethylmorpholine?
The InChIKey is YPTQOQUKOUFXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-11-7-8-12-10(2,3)9-11/h1H,5-9H2,2-3H3.
What are the key properties of 4-but-3-ynyl-2,2-dimethylmorpholine?
4-but-3-ynyl-2,2-dimethylmorpholine has a molecular weight of 167.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-ynyl-2,2-dimethylmorpholine is sourced from PubChem (CID 63657448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).