2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide

C8H11NO2 — CID 87160976

IUPAC2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide
SMILESC=C(C)C(=O)NC=C(C)C=O
InChIInChI=1S/C8H11NO2/c1-6(2)8(11)9-4-7(3)5-10/h4-5H,1H2,2-3H3,(H,9,11)
InChIKeyMPJAYTZVFFEYOQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.78
Rot. Bonds3

About 2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide

2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide (PubChem CID 87160976) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide
PubChem CID87160976
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide
SMILESC=C(C)C(=O)NC=C(C)C=O
InChIInChI=1S/C8H11NO2/c1-6(2)8(11)9-4-7(3)5-10/h4-5H,1H2,2-3H3,(H,9,11)
InChIKeyMPJAYTZVFFEYOQ-UHFFFAOYSA-N
XLogP0.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-methyl-3-oxoprop-1-enyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide (CID 87160976) is 2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide is C=C(C)C(=O)NC=C(C)C=O.
What is the InChIKey of 2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide?
The InChIKey is MPJAYTZVFFEYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(2)8(11)9-4-7(3)5-10/h4-5H,1H2,2-3H3,(H,9,11).
What are the key properties of 2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide?
2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide has a molecular weight of 153.18 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-3-oxoprop-1-enyl)prop-2-enamide is sourced from PubChem (CID 87160976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).