N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate

C16H15N2O- — CID 146162800

IUPACN-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate
SMILESC=Cc1ccccc1N(C)/C([O-])=N/c1ccccc1
InChIInChI=1S/C16H16N2O/c1-3-13-9-7-8-12-15(13)18(2)16(19)17-14-10-5-4-6-11-14/h3-12H,1H2,2H3,(H,17,19)/p-1
InChIKeyJCDXQFYBIZWWCU-UHFFFAOYSA-M
MW251.31 g/mol
LogP2.81
Rot. Bonds3

About N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate

N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate (PubChem CID 146162800) has the molecular formula C16H15N2O- and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate.

Molecular Properties

Compound NameN-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate
PubChem CID146162800
Molecular FormulaC16H15N2O-
Molecular Weight251.31 g/mol
Exact Mass251.12
IUPAC NameN-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate
SMILESC=Cc1ccccc1N(C)/C([O-])=N/c1ccccc1
InChIInChI=1S/C16H16N2O/c1-3-13-9-7-8-12-15(13)18(2)16(19)17-14-10-5-4-6-11-14/h3-12H,1H2,2H3,(H,17,19)/p-1
InChIKeyJCDXQFYBIZWWCU-UHFFFAOYSA-M
XLogP2.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate?
The IUPAC name of N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate (CID 146162800) is N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate.
What is the SMILES notation for N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate?
The canonical SMILES for N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate is C=Cc1ccccc1N(C)/C([O-])=N/c1ccccc1.
What is the InChIKey of N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate?
The InChIKey is JCDXQFYBIZWWCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N2O/c1-3-13-9-7-8-12-15(13)18(2)16(19)17-14-10-5-4-6-11-14/h3-12H,1H2,2H3,(H,17,19)/p-1.
What are the key properties of N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate?
N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate has a molecular weight of 251.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenylphenyl)-N-methyl-N'-phenylcarbamimidate is sourced from PubChem (CID 146162800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).