CID 175738104

C5H11BN2O2P — CID 175738104

IUPAC—
SMILESCCOP(=O)(C#N)N(C)C.[B]
InChIInChI=1S/C5H11N2O2P.B/c1-4-9-10(8,5-6)7(2)3;/h4H2,1-3H3;
InChIKeyVTFJQWGLLSYIPS-UHFFFAOYSA-N
MW172.94 g/mol
LogP0.88
Rot. Bonds3

About CID 175738104

CID 175738104 (PubChem CID 175738104) has the molecular formula C5H11BN2O2P and a molecular weight of 172.94 g/mol.

Molecular Properties

Compound NameCID 175738104
PubChem CID175738104
Molecular FormulaC5H11BN2O2P
Molecular Weight172.94 g/mol
Exact Mass173.07
IUPAC Name—
SMILESCCOP(=O)(C#N)N(C)C.[B]
InChIInChI=1S/C5H11N2O2P.B/c1-4-9-10(8,5-6)7(2)3;/h4H2,1-3H3;
InChIKeyVTFJQWGLLSYIPS-UHFFFAOYSA-N
XLogP0.88
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.94
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;[dimethylamino(ethoxy)phosphoryl]formonitrile
CID 175744163
[ethoxy-[ethyl(propan-2-yl)amino]phosphoryl]formonitrile
CID 86082466
[amino(ethoxy)phosphoryl]formonitrile
CID 15249953
2-diethoxyphosphoryl-2-(dimethylamino)acetonitrile
CID 12845692
diethoxyphosphorylformonitrile;methanediimine;hydrochloride
CID 155345866
[[ethyl(methyl)amino]-pentoxyphosphoryl]formonitrile
CID 86082433
[[ethyl(methyl)amino]-hexoxyphosphoryl]formonitrile
CID 86082434
cyano(ethoxy)phosphinate;trimethylsulfanium
CID 10727206
[[methyl(propyl)amino]-octoxyphosphoryl]formonitrile
CID 170850595
dimethylamino(ethoxy)phosphinate;tetramethylazanium
CID 22756504
1-diethoxyphosphoryl-1-methylhydrazine
CID 10773763
[ethyl(methyl)phosphoryl]formonitrile
CID 157348132

Frequently Asked Questions

What is the IUPAC name of CID 175738104?
The IUPAC name of CID 175738104 (CID 175738104) is not available.
What is the SMILES notation for CID 175738104?
The canonical SMILES for CID 175738104 is CCOP(=O)(C#N)N(C)C.[B].
What is the InChIKey of CID 175738104?
The InChIKey is VTFJQWGLLSYIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O2P.B/c1-4-9-10(8,5-6)7(2)3;/h4H2,1-3H3;.
What are the key properties of CID 175738104?
CID 175738104 has a molecular weight of 172.94 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175738104 is sourced from PubChem (CID 175738104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).