2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide

C9H15NO2 — CID 87949442

IUPAC2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide
SMILESC=CCOCCNC(=O)C(=C)C
InChIInChI=1S/C9H15NO2/c1-4-6-12-7-5-10-9(11)8(2)3/h4H,1-2,5-7H2,3H3,(H,10,11)
InChIKeyUIIDVVWBCFRMLM-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.88
Rot. Bonds6

About 2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide

2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide (PubChem CID 87949442) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide
PubChem CID87949442
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide
SMILESC=CCOCCNC(=O)C(=C)C
InChIInChI=1S/C9H15NO2/c1-4-6-12-7-5-10-9(11)8(2)3/h4H,1-2,5-7H2,3H3,(H,10,11)
InChIKeyUIIDVVWBCFRMLM-UHFFFAOYSA-N
XLogP0.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide (CID 87949442) is 2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide is C=CCOCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide?
The InChIKey is UIIDVVWBCFRMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-6-12-7-5-10-9(11)8(2)3/h4H,1-2,5-7H2,3H3,(H,10,11).
What are the key properties of 2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide?
2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-prop-2-enoxyethyl)prop-2-enamide is sourced from PubChem (CID 87949442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).