methyl [amino(phenyl)boranyl]formate

C8H10BNO2 — CID 174576984

IUPACmethyl [amino(phenyl)boranyl]formate
SMILESCOC(=O)B(N)c1ccccc1
InChIInChI=1S/C8H10BNO2/c1-12-8(11)9(10)7-5-3-2-4-6-7/h2-6H,10H2,1H3
InChIKeyIVBRDXFBTZATSG-UHFFFAOYSA-N
MW162.98 g/mol
LogP0.19
Rot. Bonds2

About methyl [amino(phenyl)boranyl]formate

methyl [amino(phenyl)boranyl]formate (PubChem CID 174576984) has the molecular formula C8H10BNO2 and a molecular weight of 162.98 g/mol. Its IUPAC name is methyl [amino(phenyl)boranyl]formate.

Molecular Properties

Compound Namemethyl [amino(phenyl)boranyl]formate
PubChem CID174576984
Molecular FormulaC8H10BNO2
Molecular Weight162.98 g/mol
Exact Mass163.08
IUPAC Namemethyl [amino(phenyl)boranyl]formate
SMILESCOC(=O)B(N)c1ccccc1
InChIInChI=1S/C8H10BNO2/c1-12-8(11)9(10)7-5-3-2-4-6-7/h2-6H,10H2,1H3
InChIKeyIVBRDXFBTZATSG-UHFFFAOYSA-N
XLogP0.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.98
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxycarbonyloxy(phenyl)borinic acid
CID 66960185
methylperoxy(phenyl)borinic acid;hydrofluoride
CID 175302073
methyl 4-diphenylboranylbenzoate
CID 174031227
diphenylboranylcarbonyl diphenylboranylformate
CID 57000365
N-diphenylboranylmethanamine
CID 4233319
N-methoxy-2,2,2-triphenylacetamide
CID 175153772
ethane;methyl phenyl carbonate
CID 91113838
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
phenylboronic acid;propan-2-one
CID 175374589
methyl hydrogen carbonate;phenol
CID 126664263
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321

Frequently Asked Questions

What is the IUPAC name of methyl [amino(phenyl)boranyl]formate?
The IUPAC name of methyl [amino(phenyl)boranyl]formate (CID 174576984) is methyl [amino(phenyl)boranyl]formate.
What is the SMILES notation for methyl [amino(phenyl)boranyl]formate?
The canonical SMILES for methyl [amino(phenyl)boranyl]formate is COC(=O)B(N)c1ccccc1.
What is the InChIKey of methyl [amino(phenyl)boranyl]formate?
The InChIKey is IVBRDXFBTZATSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO2/c1-12-8(11)9(10)7-5-3-2-4-6-7/h2-6H,10H2,1H3.
What are the key properties of methyl [amino(phenyl)boranyl]formate?
methyl [amino(phenyl)boranyl]formate has a molecular weight of 162.98 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [amino(phenyl)boranyl]formate is sourced from PubChem (CID 174576984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).