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

C8H11NO2 — CID 57306880

IUPAC2-methyl-N-(2-methyl-3-oxoprop-2-enyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC(C)=C=O
InChIInChI=1S/C8H11NO2/c1-6(2)8(11)9-4-7(3)5-10/h1,4H2,2-3H3,(H,9,11)
InChIKeyYKAPKVAOVLCHCW-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.46
Rot. Bonds3

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

2-methyl-N-(2-methyl-3-oxoprop-2-enyl)prop-2-enamide (PubChem CID 57306880) 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-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3-oxoprop-2-enyl)prop-2-enamide
PubChem CID57306880
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-methyl-N-(2-methyl-3-oxoprop-2-enyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC(C)=C=O
InChIInChI=1S/C8H11NO2/c1-6(2)8(11)9-4-7(3)5-10/h1,4H2,2-3H3,(H,9,11)
InChIKeyYKAPKVAOVLCHCW-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 78882
CID 78882
CID 106428
CID 106428
CID 83698
CID 83698
CID 228225
CID 228225
CID 77495
CID 77495
CID 10375005
CID 10375005
CID 57408889
CID 57408889
CID 106429
CID 106429
CID 75139
CID 75139
CID 81837
CID 81837
CID 83121
CID 83121
CID 85267
CID 85267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-3-oxoprop-2-enyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(2-methyl-3-oxoprop-2-enyl)prop-2-enamide (CID 57306880) is 2-methyl-N-(2-methyl-3-oxoprop-2-enyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-3-oxoprop-2-enyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(2-methyl-3-oxoprop-2-enyl)prop-2-enamide is C=C(C)C(=O)NCC(C)=C=O.
What is the InChIKey of 2-methyl-N-(2-methyl-3-oxoprop-2-enyl)prop-2-enamide?
The InChIKey is YKAPKVAOVLCHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(2)8(11)9-4-7(3)5-10/h1,4H2,2-3H3,(H,9,11).
What are the key properties of 2-methyl-N-(2-methyl-3-oxoprop-2-enyl)prop-2-enamide?
2-methyl-N-(2-methyl-3-oxoprop-2-enyl)prop-2-enamide has a molecular weight of 153.18 g/mol, XLogP of 0.46, 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-2-enyl)prop-2-enamide is sourced from PubChem (CID 57306880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).