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

C10H17NO2 — CID 91539271

IUPACN-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide
SMILESCCN(C(C)=O)C(C)=C(C)C(C)=O
InChIInChI=1S/C10H17NO2/c1-6-11(10(5)13)8(3)7(2)9(4)12/h6H2,1-5H3
InChIKeyYZXBOVZGLADNOV-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.74
Rot. Bonds3

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

N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide (PubChem CID 91539271) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide
PubChem CID91539271
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide
SMILESCCN(C(C)=O)C(C)=C(C)C(C)=O
InChIInChI=1S/C10H17NO2/c1-6-11(10(5)13)8(3)7(2)9(4)12/h6H2,1-5H3
InChIKeyYZXBOVZGLADNOV-UHFFFAOYSA-N
XLogP1.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2,2-difluoro-4-methyl-5-oxohex-3-en-3-yl]-N-methylacetamide
CID 142607460
N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide
CID 142607423
3-(1-Acetylpyrrolidin-2-ylidene)butan-2-one
CID 123729373
1,3,4,6,7-Pentamethylazepine-2,5-dione
CID 121219922

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide?
The IUPAC name of N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide (CID 91539271) is N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide?
The canonical SMILES for N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide is CCN(C(C)=O)C(C)=C(C)C(C)=O.
What is the InChIKey of N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide?
The InChIKey is YZXBOVZGLADNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-11(10(5)13)8(3)7(2)9(4)12/h6H2,1-5H3.
What are the key properties of N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide?
N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide has a molecular weight of 183.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide is sourced from PubChem (CID 91539271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).