2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide

C8H11NO2 — CID 139914807

IUPAC2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide
SMILESC=CC(=O)CNC(=O)C(=C)C
InChIInChI=1S/C8H11NO2/c1-4-7(10)5-9-8(11)6(2)3/h4H,1-2,5H2,3H3,(H,9,11)
InChIKeyCJCRWMDKXKMBQU-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.43
Rot. Bonds4

About 2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide

2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide (PubChem CID 139914807) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide
PubChem CID139914807
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide
SMILESC=CC(=O)CNC(=O)C(=C)C
InChIInChI=1S/C8H11NO2/c1-4-7(10)5-9-8(11)6(2)3/h4H,1-2,5H2,3H3,(H,9,11)
InChIKeyCJCRWMDKXKMBQU-UHFFFAOYSA-N
XLogP0.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-oxobut-3-enyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide (CID 139914807) is 2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide is C=CC(=O)CNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide?
The InChIKey is CJCRWMDKXKMBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-4-7(10)5-9-8(11)6(2)3/h4H,1-2,5H2,3H3,(H,9,11).
What are the key properties of 2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide?
2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide has a molecular weight of 153.18 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxobut-3-enyl)prop-2-enamide is sourced from PubChem (CID 139914807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).