N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid

C13H15NO3 — CID 145399422

IUPACN-[2,3-bis(ethenyl)phenyl]acetamide;formic acid
SMILESC=Cc1cccc(NC(C)=O)c1C=C.O=CO
InChIInChI=1S/C12H13NO.CH2O2/c1-4-10-7-6-8-12(11(10)5-2)13-9(3)14;2-1-3/h4-8H,1-2H2,3H3,(H,13,14);1H,(H,2,3)
InChIKeyNBKIEWPDFYNWEM-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.63
Rot. Bonds3

About N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid

N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid (PubChem CID 145399422) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid.

Molecular Properties

Compound NameN-[2,3-bis(ethenyl)phenyl]acetamide;formic acid
PubChem CID145399422
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[2,3-bis(ethenyl)phenyl]acetamide;formic acid
SMILESC=Cc1cccc(NC(C)=O)c1C=C.O=CO
InChIInChI=1S/C12H13NO.CH2O2/c1-4-10-7-6-8-12(11(10)5-2)13-9(3)14;2-1-3/h4-8H,1-2H2,3H3,(H,13,14);1H,(H,2,3)
InChIKeyNBKIEWPDFYNWEM-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid?
The IUPAC name of N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid (CID 145399422) is N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid.
What is the SMILES notation for N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid?
The canonical SMILES for N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid is C=Cc1cccc(NC(C)=O)c1C=C.O=CO.
What is the InChIKey of N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid?
The InChIKey is NBKIEWPDFYNWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.CH2O2/c1-4-10-7-6-8-12(11(10)5-2)13-9(3)14;2-1-3/h4-8H,1-2H2,3H3,(H,13,14);1H,(H,2,3).
What are the key properties of N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid?
N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid has a molecular weight of 233.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid is sourced from PubChem (CID 145399422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).