N-ethenylformamide;prop-2-enoic acid

C6H9NO3 — CID 129031284

IUPACN-ethenylformamide;prop-2-enoic acid
SMILESC=CC(=O)O.C=CNC=O
InChIInChI=1S/C3H5NO.C3H4O2/c1-2-4-3-5;1-2-3(4)5/h2-3H,1H2,(H,4,5);2H,1H2,(H,4,5)
InChIKeyXRNVLCGXCCBWHF-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.13
Rot. Bonds3

About N-ethenylformamide;prop-2-enoic acid

N-ethenylformamide;prop-2-enoic acid (PubChem CID 129031284) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is N-ethenylformamide;prop-2-enoic acid.

Molecular Properties

Compound NameN-ethenylformamide;prop-2-enoic acid
PubChem CID129031284
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC NameN-ethenylformamide;prop-2-enoic acid
SMILESC=CC(=O)O.C=CNC=O
InChIInChI=1S/C3H5NO.C3H4O2/c1-2-4-3-5;1-2-3(4)5/h2-3H,1H2,(H,4,5);2H,1H2,(H,4,5)
InChIKeyXRNVLCGXCCBWHF-UHFFFAOYSA-N
XLogP0.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenylformamide;prop-2-enoic acid?
The IUPAC name of N-ethenylformamide;prop-2-enoic acid (CID 129031284) is N-ethenylformamide;prop-2-enoic acid.
What is the SMILES notation for N-ethenylformamide;prop-2-enoic acid?
The canonical SMILES for N-ethenylformamide;prop-2-enoic acid is C=CC(=O)O.C=CNC=O.
What is the InChIKey of N-ethenylformamide;prop-2-enoic acid?
The InChIKey is XRNVLCGXCCBWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C3H4O2/c1-2-4-3-5;1-2-3(4)5/h2-3H,1H2,(H,4,5);2H,1H2,(H,4,5).
What are the key properties of N-ethenylformamide;prop-2-enoic acid?
N-ethenylformamide;prop-2-enoic acid has a molecular weight of 143.14 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylformamide;prop-2-enoic acid is sourced from PubChem (CID 129031284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).