N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide

C8H13NO2 — CID 102399833

IUPACN-methoxy-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(OC)C(=O)C(=C)C
InChIInChI=1S/C8H13NO2/c1-5-6-9(11-4)8(10)7(2)3/h5H,1-2,6H2,3-4H3
InChIKeyBSOCZICMFIBMIJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.14
Rot. Bonds4

About N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide

N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide (PubChem CID 102399833) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-methoxy-2-methyl-N-prop-2-enylprop-2-enamide
PubChem CID102399833
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-methoxy-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(OC)C(=O)C(=C)C
InChIInChI=1S/C8H13NO2/c1-5-6-9(11-4)8(10)7(2)3/h5H,1-2,6H2,3-4H3
InChIKeyBSOCZICMFIBMIJ-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide (CID 102399833) is N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide is C=CCN(OC)C(=O)C(=C)C.
What is the InChIKey of N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide?
The InChIKey is BSOCZICMFIBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-6-9(11-4)8(10)7(2)3/h5H,1-2,6H2,3-4H3.
What are the key properties of N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide?
N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 102399833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).