(E)-N-ethyl-N-methyl-4-oxohept-5-enamide

C10H17NO2 — CID 90339000

IUPAC(E)-N-ethyl-N-methyl-4-oxohept-5-enamide
SMILESC/C=C/C(=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/b6-4+
InChIKeyONNVLMCKJFKGIJ-GQCTYLIASA-N
MW183.25 g/mol
LogP1.39
Rot. Bonds5

About (E)-N-ethyl-N-methyl-4-oxohept-5-enamide

(E)-N-ethyl-N-methyl-4-oxohept-5-enamide (PubChem CID 90339000) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-N-ethyl-N-methyl-4-oxohept-5-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-methyl-4-oxohept-5-enamide
PubChem CID90339000
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-N-ethyl-N-methyl-4-oxohept-5-enamide
SMILESC/C=C/C(=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/b6-4+
InChIKeyONNVLMCKJFKGIJ-GQCTYLIASA-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 (E)-N-ethyl-N-methyl-4-oxohept-5-enamide?
The IUPAC name of (E)-N-ethyl-N-methyl-4-oxohept-5-enamide (CID 90339000) is (E)-N-ethyl-N-methyl-4-oxohept-5-enamide.
What is the SMILES notation for (E)-N-ethyl-N-methyl-4-oxohept-5-enamide?
The canonical SMILES for (E)-N-ethyl-N-methyl-4-oxohept-5-enamide is C/C=C/C(=O)CCC(=O)N(C)CC.
What is the InChIKey of (E)-N-ethyl-N-methyl-4-oxohept-5-enamide?
The InChIKey is ONNVLMCKJFKGIJ-GQCTYLIASA-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/b6-4+.
What are the key properties of (E)-N-ethyl-N-methyl-4-oxohept-5-enamide?
(E)-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 (E)-N-ethyl-N-methyl-4-oxohept-5-enamide is sourced from PubChem (CID 90339000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).