prop-2-enamide;N-propylprop-2-enamide

C9H16N2O2 — CID 10058214

IUPACprop-2-enamide;N-propylprop-2-enamide
SMILESC=CC(=O)NCCC.C=CC(N)=O
InChIInChI=1S/C6H11NO.C3H5NO/c1-3-5-7-6(8)4-2;1-2-3(4)5/h4H,2-3,5H2,1H3,(H,7,8);2H,1H2,(H2,4,5)
InChIKeyQEODWPPPHSFEMU-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.36
Rot. Bonds4

About prop-2-enamide;N-propylprop-2-enamide

prop-2-enamide;N-propylprop-2-enamide (PubChem CID 10058214) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is prop-2-enamide;N-propylprop-2-enamide.

Molecular Properties

Compound Nameprop-2-enamide;N-propylprop-2-enamide
PubChem CID10058214
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameprop-2-enamide;N-propylprop-2-enamide
SMILESC=CC(=O)NCCC.C=CC(N)=O
InChIInChI=1S/C6H11NO.C3H5NO/c1-3-5-7-6(8)4-2;1-2-3(4)5/h4H,2-3,5H2,1H3,(H,7,8);2H,1H2,(H2,4,5)
InChIKeyQEODWPPPHSFEMU-UHFFFAOYSA-N
XLogP0.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-propylprop-2-enamide?
The IUPAC name of prop-2-enamide;N-propylprop-2-enamide (CID 10058214) is prop-2-enamide;N-propylprop-2-enamide.
What is the SMILES notation for prop-2-enamide;N-propylprop-2-enamide?
The canonical SMILES for prop-2-enamide;N-propylprop-2-enamide is C=CC(=O)NCCC.C=CC(N)=O.
What is the InChIKey of prop-2-enamide;N-propylprop-2-enamide?
The InChIKey is QEODWPPPHSFEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H5NO/c1-3-5-7-6(8)4-2;1-2-3(4)5/h4H,2-3,5H2,1H3,(H,7,8);2H,1H2,(H2,4,5).
What are the key properties of prop-2-enamide;N-propylprop-2-enamide?
prop-2-enamide;N-propylprop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;N-propylprop-2-enamide is sourced from PubChem (CID 10058214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).