2-formyl-N-prop-2-enoylprop-2-enamide

C7H7NO3 — CID 173096374

IUPAC2-formyl-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)NC(=O)C(=C)C=O
InChIInChI=1S/C7H7NO3/c1-3-6(10)8-7(11)5(2)4-9/h3-4H,1-2H2,(H,8,10,11)
InChIKeyLLPRGRUHFGBUDJ-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.43
Rot. Bonds3

About 2-formyl-N-prop-2-enoylprop-2-enamide

2-formyl-N-prop-2-enoylprop-2-enamide (PubChem CID 173096374) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-formyl-N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound Name2-formyl-N-prop-2-enoylprop-2-enamide
PubChem CID173096374
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-formyl-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)NC(=O)C(=C)C=O
InChIInChI=1S/C7H7NO3/c1-3-6(10)8-7(11)5(2)4-9/h3-4H,1-2H2,(H,8,10,11)
InChIKeyLLPRGRUHFGBUDJ-UHFFFAOYSA-N
XLogP-0.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-prop-2-enoylprop-2-enamide?
The IUPAC name of 2-formyl-N-prop-2-enoylprop-2-enamide (CID 173096374) is 2-formyl-N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for 2-formyl-N-prop-2-enoylprop-2-enamide?
The canonical SMILES for 2-formyl-N-prop-2-enoylprop-2-enamide is C=CC(=O)NC(=O)C(=C)C=O.
What is the InChIKey of 2-formyl-N-prop-2-enoylprop-2-enamide?
The InChIKey is LLPRGRUHFGBUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-3-6(10)8-7(11)5(2)4-9/h3-4H,1-2H2,(H,8,10,11).
What are the key properties of 2-formyl-N-prop-2-enoylprop-2-enamide?
2-formyl-N-prop-2-enoylprop-2-enamide has a molecular weight of 153.14 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 173096374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).