3-ethynyl-1-methyl-1λ5-phospholane 1-oxide

C7H11OP — CID 89445711

IUPAC3-ethynyl-1-methyl-1λ5-phospholane 1-oxide
SMILESC#CC1CCP(C)(=O)C1
InChIInChI=1S/C7H11OP/c1-3-7-4-5-9(2,8)6-7/h1,7H,4-6H2,2H3
InChIKeyOLUOYCJACPRYAV-UHFFFAOYSA-N
MW142.14 g/mol
LogP1.63
Rot. Bonds

About 3-ethynyl-1-methyl-1λ5-phospholane 1-oxide

3-ethynyl-1-methyl-1λ5-phospholane 1-oxide (PubChem CID 89445711) has the molecular formula C7H11OP and a molecular weight of 142.14 g/mol. Its IUPAC name is 3-ethynyl-1-methyl-1λ5-phospholane 1-oxide.

Molecular Properties

Compound Name3-ethynyl-1-methyl-1λ5-phospholane 1-oxide
PubChem CID89445711
Molecular FormulaC7H11OP
Molecular Weight142.14 g/mol
Exact Mass142.05
IUPAC Name3-ethynyl-1-methyl-1λ5-phospholane 1-oxide
SMILESC#CC1CCP(C)(=O)C1
InChIInChI=1S/C7H11OP/c1-3-7-4-5-9(2,8)6-7/h1,7H,4-6H2,2H3
InChIKeyOLUOYCJACPRYAV-UHFFFAOYSA-N
XLogP1.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-1-methyl-1λ5-phospholane 1-oxide?
The IUPAC name of 3-ethynyl-1-methyl-1λ5-phospholane 1-oxide (CID 89445711) is 3-ethynyl-1-methyl-1λ5-phospholane 1-oxide.
What is the SMILES notation for 3-ethynyl-1-methyl-1λ5-phospholane 1-oxide?
The canonical SMILES for 3-ethynyl-1-methyl-1λ5-phospholane 1-oxide is C#CC1CCP(C)(=O)C1.
What is the InChIKey of 3-ethynyl-1-methyl-1λ5-phospholane 1-oxide?
The InChIKey is OLUOYCJACPRYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11OP/c1-3-7-4-5-9(2,8)6-7/h1,7H,4-6H2,2H3.
What are the key properties of 3-ethynyl-1-methyl-1λ5-phospholane 1-oxide?
3-ethynyl-1-methyl-1λ5-phospholane 1-oxide has a molecular weight of 142.14 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-1-methyl-1λ5-phospholane 1-oxide is sourced from PubChem (CID 89445711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).