[methyl(phenyl)phosphanyl]boranuide

C7H11BP- — CID 102383944

IUPAC[methyl(phenyl)phosphanyl]boranuide
SMILES[BH3-]P(C)c1ccccc1
InChIInChI=1S/C7H11BP/c1-9(8)7-5-3-2-4-6-7/h2-6H,1,8H3/q-1
InChIKeyNJEWMQCHDYHKOI-UHFFFAOYSA-N
MW136.95 g/mol
LogP0.70
Rot. Bonds1

About [methyl(phenyl)phosphanyl]boranuide

[methyl(phenyl)phosphanyl]boranuide (PubChem CID 102383944) has the molecular formula C7H11BP- and a molecular weight of 136.95 g/mol. Its IUPAC name is [methyl(phenyl)phosphanyl]boranuide.

Molecular Properties

Compound Name[methyl(phenyl)phosphanyl]boranuide
PubChem CID102383944
Molecular FormulaC7H11BP-
Molecular Weight136.95 g/mol
Exact Mass137.07
IUPAC Name[methyl(phenyl)phosphanyl]boranuide
SMILES[BH3-]P(C)c1ccccc1
InChIInChI=1S/C7H11BP/c1-9(8)7-5-3-2-4-6-7/h2-6H,1,8H3/q-1
InChIKeyNJEWMQCHDYHKOI-UHFFFAOYSA-N
XLogP0.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.95
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

borane;methyl(diphenyl)phosphane
CID 13485169
dichlororuthenium;bis(methyl(diphenyl)phosphane)
CID 175433637
methyl(diphenyl)phosphane;palladium(2+);dichloride
CID 175235701
carbanide;gold(1+);methyl(diphenyl)phosphane
CID 87994939
ethane;triphenylphosphane
CID 90942156
(S)-ethyl-methyl-phenylphosphane
CID 10909914
triphenylphosphane
CID 139056248
CID 164679845
CID 164679845
gold(1+);methyl(diphenyl)phosphane;trifluoromethane
CID 134981383
dimethyl(phenyl)phosphane;gold(1+);azide
CID 166731380
2,2-dimethylpropane;triphenylphosphane
CID 143924519
tribromorhodium;triphenylphosphane
CID 158693880

Frequently Asked Questions

What is the IUPAC name of [methyl(phenyl)phosphanyl]boranuide?
The IUPAC name of [methyl(phenyl)phosphanyl]boranuide (CID 102383944) is [methyl(phenyl)phosphanyl]boranuide.
What is the SMILES notation for [methyl(phenyl)phosphanyl]boranuide?
The canonical SMILES for [methyl(phenyl)phosphanyl]boranuide is [BH3-]P(C)c1ccccc1.
What is the InChIKey of [methyl(phenyl)phosphanyl]boranuide?
The InChIKey is NJEWMQCHDYHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BP/c1-9(8)7-5-3-2-4-6-7/h2-6H,1,8H3/q-1.
What are the key properties of [methyl(phenyl)phosphanyl]boranuide?
[methyl(phenyl)phosphanyl]boranuide has a molecular weight of 136.95 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(phenyl)phosphanyl]boranuide is sourced from PubChem (CID 102383944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).