N-ethyl-N-methyl-4-oxohept-5-enamide

C10H17NO2 — CID 123852000

IUPACN-ethyl-N-methyl-4-oxohept-5-enamide
SMILESCC=CC(=O)CCC(=O)N(C)CC
InChIInChI=1S/C10H17NO2/c1-4-6-9(12)7-8-10(13)11(3)5-2/h4,6H,5,7-8H2,1-3H3
InChIKeyONNVLMCKJFKGIJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.39
Rot. Bonds5

About N-ethyl-N-methyl-4-oxohept-5-enamide

N-ethyl-N-methyl-4-oxohept-5-enamide (PubChem CID 123852000) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-oxohept-5-enamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-oxohept-5-enamide
PubChem CID123852000
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-ethyl-N-methyl-4-oxohept-5-enamide
SMILESCC=CC(=O)CCC(=O)N(C)CC
InChIInChI=1S/C10H17NO2/c1-4-6-9(12)7-8-10(13)11(3)5-2/h4,6H,5,7-8H2,1-3H3
InChIKeyONNVLMCKJFKGIJ-UHFFFAOYSA-N
XLogP1.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-oxohept-5-enamide?
The IUPAC name of N-ethyl-N-methyl-4-oxohept-5-enamide (CID 123852000) is N-ethyl-N-methyl-4-oxohept-5-enamide.
What is the SMILES notation for N-ethyl-N-methyl-4-oxohept-5-enamide?
The canonical SMILES for N-ethyl-N-methyl-4-oxohept-5-enamide is CC=CC(=O)CCC(=O)N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-4-oxohept-5-enamide?
The InChIKey is ONNVLMCKJFKGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-6-9(12)7-8-10(13)11(3)5-2/h4,6H,5,7-8H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-4-oxohept-5-enamide?
N-ethyl-N-methyl-4-oxohept-5-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-oxohept-5-enamide is sourced from PubChem (CID 123852000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).