4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine

C10H16N3OP — CID 89446726

IUPAC4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine
SMILESC#CC1C(C#C)N(C)P(=O)(N(C)C)N1C
InChIInChI=1S/C10H16N3OP/c1-7-9-10(8-2)13(6)15(14,11(3)4)12(9)5/h1-2,9-10H,3-6H3
InChIKeyAYCYMAKVSISODQ-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.54
Rot. Bonds1

About 4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine

4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine (PubChem CID 89446726) has the molecular formula C10H16N3OP and a molecular weight of 225.23 g/mol. Its IUPAC name is 4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine.

Molecular Properties

Compound Name4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine
PubChem CID89446726
Molecular FormulaC10H16N3OP
Molecular Weight225.23 g/mol
Exact Mass225.10
IUPAC Name4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine
SMILESC#CC1C(C#C)N(C)P(=O)(N(C)C)N1C
InChIInChI=1S/C10H16N3OP/c1-7-9-10(8-2)13(6)15(14,11(3)4)12(9)5/h1-2,9-10H,3-6H3
InChIKeyAYCYMAKVSISODQ-UHFFFAOYSA-N
XLogP0.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.54
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 4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine?
The IUPAC name of 4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine (CID 89446726) is 4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine.
What is the SMILES notation for 4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine?
The canonical SMILES for 4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine is C#CC1C(C#C)N(C)P(=O)(N(C)C)N1C.
What is the InChIKey of 4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine?
The InChIKey is AYCYMAKVSISODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3OP/c1-7-9-10(8-2)13(6)15(14,11(3)4)12(9)5/h1-2,9-10H,3-6H3.
What are the key properties of 4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine?
4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine has a molecular weight of 225.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine is sourced from PubChem (CID 89446726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).