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

C8H16N3OP — CID 89445734

IUPAC4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine
SMILESC#CC1CN(C)P(=O)(N(C)C)N1C
InChIInChI=1S/C8H16N3OP/c1-6-8-7-10(4)13(12,9(2)3)11(8)5/h1,8H,7H2,2-5H3
InChIKeyJOPMDWIEAMTUGZ-UHFFFAOYSA-N
MW201.21 g/mol
LogP0.54
Rot. Bonds1

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

4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine (PubChem CID 89445734) has the molecular formula C8H16N3OP and a molecular weight of 201.21 g/mol. Its IUPAC name is 4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine.

Molecular Properties

Compound Name4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine
PubChem CID89445734
Molecular FormulaC8H16N3OP
Molecular Weight201.21 g/mol
Exact Mass201.10
IUPAC Name4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine
SMILESC#CC1CN(C)P(=O)(N(C)C)N1C
InChIInChI=1S/C8H16N3OP/c1-6-8-7-10(4)13(12,9(2)3)11(8)5/h1,8H,7H2,2-5H3
InChIKeyJOPMDWIEAMTUGZ-UHFFFAOYSA-N
XLogP0.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
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-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine?
The IUPAC name of 4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine (CID 89445734) is 4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine.
What is the SMILES notation for 4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine?
The canonical SMILES for 4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine is C#CC1CN(C)P(=O)(N(C)C)N1C.
What is the InChIKey of 4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine?
The InChIKey is JOPMDWIEAMTUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3OP/c1-6-8-7-10(4)13(12,9(2)3)11(8)5/h1,8H,7H2,2-5H3.
What are the key properties of 4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine?
4-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine has a molecular weight of 201.21 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-ethynyl-N,N,1,3-tetramethyl-2-oxo-1,3,2λ5-diazaphospholidin-2-amine is sourced from PubChem (CID 89445734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).