5-ethynyl-1,2-dimethylazaphospholidine

C7H12NP — CID 89442129

IUPAC5-ethynyl-1,2-dimethylazaphospholidine
SMILESC#CC1CCP(C)N1C
InChIInChI=1S/C7H12NP/c1-4-7-5-6-9(3)8(7)2/h1,7H,5-6H2,2-3H3
InChIKeyVZDWTBJQHHVPNI-UHFFFAOYSA-N
MW141.15 g/mol
LogP1.35
Rot. Bonds

About 5-ethynyl-1,2-dimethylazaphospholidine

5-ethynyl-1,2-dimethylazaphospholidine (PubChem CID 89442129) has the molecular formula C7H12NP and a molecular weight of 141.15 g/mol. Its IUPAC name is 5-ethynyl-1,2-dimethylazaphospholidine.

Molecular Properties

Compound Name5-ethynyl-1,2-dimethylazaphospholidine
PubChem CID89442129
Molecular FormulaC7H12NP
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name5-ethynyl-1,2-dimethylazaphospholidine
SMILESC#CC1CCP(C)N1C
InChIInChI=1S/C7H12NP/c1-4-7-5-6-9(3)8(7)2/h1,7H,5-6H2,2-3H3
InChIKeyVZDWTBJQHHVPNI-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 51.35
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 5-ethynyl-1,2-dimethylazaphospholidine?
The IUPAC name of 5-ethynyl-1,2-dimethylazaphospholidine (CID 89442129) is 5-ethynyl-1,2-dimethylazaphospholidine.
What is the SMILES notation for 5-ethynyl-1,2-dimethylazaphospholidine?
The canonical SMILES for 5-ethynyl-1,2-dimethylazaphospholidine is C#CC1CCP(C)N1C.
What is the InChIKey of 5-ethynyl-1,2-dimethylazaphospholidine?
The InChIKey is VZDWTBJQHHVPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NP/c1-4-7-5-6-9(3)8(7)2/h1,7H,5-6H2,2-3H3.
What are the key properties of 5-ethynyl-1,2-dimethylazaphospholidine?
5-ethynyl-1,2-dimethylazaphospholidine has a molecular weight of 141.15 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1,2-dimethylazaphospholidine is sourced from PubChem (CID 89442129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).