N-(prop-2-enoxymethyl)prop-2-enamide

C7H11NO2 — CID 19357475

IUPACN-(prop-2-enoxymethyl)prop-2-enamide
SMILESC=CCOCNC(=O)C=C
InChIInChI=1S/C7H11NO2/c1-3-5-10-6-8-7(9)4-2/h3-4H,1-2,5-6H2,(H,8,9)
InChIKeyOGEJLNOMOAKUMQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.45
Rot. Bonds5

About N-(prop-2-enoxymethyl)prop-2-enamide

N-(prop-2-enoxymethyl)prop-2-enamide (PubChem CID 19357475) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(prop-2-enoxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(prop-2-enoxymethyl)prop-2-enamide
PubChem CID19357475
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-(prop-2-enoxymethyl)prop-2-enamide
SMILESC=CCOCNC(=O)C=C
InChIInChI=1S/C7H11NO2/c1-3-5-10-6-8-7(9)4-2/h3-4H,1-2,5-6H2,(H,8,9)
InChIKeyOGEJLNOMOAKUMQ-UHFFFAOYSA-N
XLogP0.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-(prop-2-enoxymethyl)prop-2-enamide?
The IUPAC name of N-(prop-2-enoxymethyl)prop-2-enamide (CID 19357475) is N-(prop-2-enoxymethyl)prop-2-enamide.
What is the SMILES notation for N-(prop-2-enoxymethyl)prop-2-enamide?
The canonical SMILES for N-(prop-2-enoxymethyl)prop-2-enamide is C=CCOCNC(=O)C=C.
What is the InChIKey of N-(prop-2-enoxymethyl)prop-2-enamide?
The InChIKey is OGEJLNOMOAKUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-5-10-6-8-7(9)4-2/h3-4H,1-2,5-6H2,(H,8,9).
What are the key properties of N-(prop-2-enoxymethyl)prop-2-enamide?
N-(prop-2-enoxymethyl)prop-2-enamide has a molecular weight of 141.17 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enoxymethyl)prop-2-enamide is sourced from PubChem (CID 19357475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).