prop-2-enamide;N-prop-2-enoylprop-2-enamide

C9H12N2O3 — CID 87704070

IUPACprop-2-enamide;N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)NC(=O)C=C.C=CC(N)=O
InChIInChI=1S/C6H7NO2.C3H5NO/c1-3-5(8)7-6(9)4-2;1-2-3(4)5/h3-4H,1-2H2,(H,7,8,9);2H,1H2,(H2,4,5)
InChIKeyLQCLCVSTRROITG-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.34
Rot. Bonds3

About prop-2-enamide;N-prop-2-enoylprop-2-enamide

prop-2-enamide;N-prop-2-enoylprop-2-enamide (PubChem CID 87704070) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is prop-2-enamide;N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound Nameprop-2-enamide;N-prop-2-enoylprop-2-enamide
PubChem CID87704070
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Nameprop-2-enamide;N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)NC(=O)C=C.C=CC(N)=O
InChIInChI=1S/C6H7NO2.C3H5NO/c1-3-5(8)7-6(9)4-2;1-2-3(4)5/h3-4H,1-2H2,(H,7,8,9);2H,1H2,(H2,4,5)
InChIKeyLQCLCVSTRROITG-UHFFFAOYSA-N
XLogP-0.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;N-prop-2-enoylprop-2-enamide?
The IUPAC name of prop-2-enamide;N-prop-2-enoylprop-2-enamide (CID 87704070) is prop-2-enamide;N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for prop-2-enamide;N-prop-2-enoylprop-2-enamide?
The canonical SMILES for prop-2-enamide;N-prop-2-enoylprop-2-enamide is C=CC(=O)NC(=O)C=C.C=CC(N)=O.
What is the InChIKey of prop-2-enamide;N-prop-2-enoylprop-2-enamide?
The InChIKey is LQCLCVSTRROITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C3H5NO/c1-3-5(8)7-6(9)4-2;1-2-3(4)5/h3-4H,1-2H2,(H,7,8,9);2H,1H2,(H2,4,5).
What are the key properties of prop-2-enamide;N-prop-2-enoylprop-2-enamide?
prop-2-enamide;N-prop-2-enoylprop-2-enamide has a molecular weight of 196.21 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 87704070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).