ethene;N-(hydroxymethyl)prop-2-enamide

C6H11NO2 — CID 88605914

IUPACethene;N-(hydroxymethyl)prop-2-enamide
SMILESC=C.C=CC(=O)NCO
InChIInChI=1S/C4H7NO2.C2H4/c1-2-4(7)5-3-6;1-2/h2,6H,1,3H2,(H,5,7);1-2H2
InChIKeyBUMSAPSRUDLSFI-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.04
Rot. Bonds2

About ethene;N-(hydroxymethyl)prop-2-enamide

ethene;N-(hydroxymethyl)prop-2-enamide (PubChem CID 88605914) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is ethene;N-(hydroxymethyl)prop-2-enamide.

Molecular Properties

Compound Nameethene;N-(hydroxymethyl)prop-2-enamide
PubChem CID88605914
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameethene;N-(hydroxymethyl)prop-2-enamide
SMILESC=C.C=CC(=O)NCO
InChIInChI=1S/C4H7NO2.C2H4/c1-2-4(7)5-3-6;1-2/h2,6H,1,3H2,(H,5,7);1-2H2
InChIKeyBUMSAPSRUDLSFI-UHFFFAOYSA-N
XLogP0.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;N-(hydroxymethyl)prop-2-enamide?
The IUPAC name of ethene;N-(hydroxymethyl)prop-2-enamide (CID 88605914) is ethene;N-(hydroxymethyl)prop-2-enamide.
What is the SMILES notation for ethene;N-(hydroxymethyl)prop-2-enamide?
The canonical SMILES for ethene;N-(hydroxymethyl)prop-2-enamide is C=C.C=CC(=O)NCO.
What is the InChIKey of ethene;N-(hydroxymethyl)prop-2-enamide?
The InChIKey is BUMSAPSRUDLSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C2H4/c1-2-4(7)5-3-6;1-2/h2,6H,1,3H2,(H,5,7);1-2H2.
What are the key properties of ethene;N-(hydroxymethyl)prop-2-enamide?
ethene;N-(hydroxymethyl)prop-2-enamide has a molecular weight of 129.16 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-(hydroxymethyl)prop-2-enamide is sourced from PubChem (CID 88605914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).