N-(4-methyl-3-oxopent-4-en-2-yl)acetamide

C8H13NO2 — CID 90895579

IUPACN-(4-methyl-3-oxopent-4-en-2-yl)acetamide
SMILESC=C(C)C(=O)C(C)NC(C)=O
InChIInChI=1S/C8H13NO2/c1-5(2)8(11)6(3)9-7(4)10/h6H,1H2,2-4H3,(H,9,10)
InChIKeyDMAAMGHCFQGTPA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.66
Rot. Bonds3

About N-(4-methyl-3-oxopent-4-en-2-yl)acetamide

N-(4-methyl-3-oxopent-4-en-2-yl)acetamide (PubChem CID 90895579) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(4-methyl-3-oxopent-4-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxopent-4-en-2-yl)acetamide
PubChem CID90895579
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(4-methyl-3-oxopent-4-en-2-yl)acetamide
SMILESC=C(C)C(=O)C(C)NC(C)=O
InChIInChI=1S/C8H13NO2/c1-5(2)8(11)6(3)9-7(4)10/h6H,1H2,2-4H3,(H,9,10)
InChIKeyDMAAMGHCFQGTPA-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.66
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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Related Compounds

N-(5-methylidene-2-oxohept-6-en-3-yl)acetamide
CID 138967080
2-methyl-N-(2-oxobutyl)prop-2-enamide
CID 19091555
N-(4-methyl-3-oxopent-4-enyl)acetamide
CID 20767189
2-methyl-N-(3-oxobutan-2-yl)prop-2-enamide
CID 21350128
2-methyl-N-(4-oxopentan-2-yl)prop-2-enamide
CID 21556848
2,2-Dimethyl-N-(1-propionyl-but-3-enyl)-propionamide
CID 21949646
2-methyl-N-(4-methyl-3-oxopent-4-enyl)propanamide
CID 58330226
2-methyl-N-(4-methyl-3-oxopent-4-enyl)prop-2-enamide
CID 58664672
2-methyl-N-(3-methyl-2-oxobut-3-enyl)prop-2-enamide
CID 85834035
N-[(3S)-2-oxohex-5-en-3-yl]propanamide
CID 89024810
N-(2,6-dimethyl-3-oxohept-1-en-4-yl)acetamide
CID 89434578
N-(2,5-dimethyl-3-oxohept-1-en-4-yl)acetamide
CID 89434580

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxopent-4-en-2-yl)acetamide?
The IUPAC name of N-(4-methyl-3-oxopent-4-en-2-yl)acetamide (CID 90895579) is N-(4-methyl-3-oxopent-4-en-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-3-oxopent-4-en-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-3-oxopent-4-en-2-yl)acetamide is C=C(C)C(=O)C(C)NC(C)=O.
What is the InChIKey of N-(4-methyl-3-oxopent-4-en-2-yl)acetamide?
The InChIKey is DMAAMGHCFQGTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)8(11)6(3)9-7(4)10/h6H,1H2,2-4H3,(H,9,10).
What are the key properties of N-(4-methyl-3-oxopent-4-en-2-yl)acetamide?
N-(4-methyl-3-oxopent-4-en-2-yl)acetamide has a molecular weight of 155.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxopent-4-en-2-yl)acetamide is sourced from PubChem (CID 90895579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).