formamide;prop-2-enoic acid

C4H7NO3 — CID 23373282

IUPACformamide;prop-2-enoic acid
SMILESC=CC(=O)O.NC=O
InChIInChI=1S/C3H4O2.CH3NO/c1-2-3(4)5;2-1-3/h2H,1H2,(H,4,5);1H,(H2,2,3)
InChIKeyRTTCHMRSXNZFRY-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.64
Rot. Bonds1

About formamide;prop-2-enoic acid

formamide;prop-2-enoic acid (PubChem CID 23373282) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is formamide;prop-2-enoic acid.

Molecular Properties

Compound Nameformamide;prop-2-enoic acid
PubChem CID23373282
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Nameformamide;prop-2-enoic acid
SMILESC=CC(=O)O.NC=O
InChIInChI=1S/C3H4O2.CH3NO/c1-2-3(4)5;2-1-3/h2H,1H2,(H,4,5);1H,(H2,2,3)
InChIKeyRTTCHMRSXNZFRY-UHFFFAOYSA-N
XLogP-0.64
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.64
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 formamide;prop-2-enoic acid?
The IUPAC name of formamide;prop-2-enoic acid (CID 23373282) is formamide;prop-2-enoic acid.
What is the SMILES notation for formamide;prop-2-enoic acid?
The canonical SMILES for formamide;prop-2-enoic acid is C=CC(=O)O.NC=O.
What is the InChIKey of formamide;prop-2-enoic acid?
The InChIKey is RTTCHMRSXNZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.CH3NO/c1-2-3(4)5;2-1-3/h2H,1H2,(H,4,5);1H,(H2,2,3).
What are the key properties of formamide;prop-2-enoic acid?
formamide;prop-2-enoic acid has a molecular weight of 117.10 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;prop-2-enoic acid is sourced from PubChem (CID 23373282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).