N-ethyl-6-methyl-4-oxohept-5-enamide

C10H17NO2 — CID 90339098

IUPACN-ethyl-6-methyl-4-oxohept-5-enamide
SMILESCCNC(=O)CCC(=O)C=C(C)C
InChIInChI=1S/C10H17NO2/c1-4-11-10(13)6-5-9(12)7-8(2)3/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyWDICSKMQJMZHQV-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.44
Rot. Bonds5

About N-ethyl-6-methyl-4-oxohept-5-enamide

N-ethyl-6-methyl-4-oxohept-5-enamide (PubChem CID 90339098) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-ethyl-6-methyl-4-oxohept-5-enamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-4-oxohept-5-enamide
PubChem CID90339098
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-ethyl-6-methyl-4-oxohept-5-enamide
SMILESCCNC(=O)CCC(=O)C=C(C)C
InChIInChI=1S/C10H17NO2/c1-4-11-10(13)6-5-9(12)7-8(2)3/h7H,4-6H2,1-3H3,(H,11,13)
InChIKeyWDICSKMQJMZHQV-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.44
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-ethyl-4-oxohex-5-enamide
CID 147279818
2-methyloct-2-en-4-one
CID 29838
N,N'-diethylnonanediamide
CID 89048639
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
5-acetamido-N-ethylpentanamide
CID 145189248
N,N'-diethylpropanediamide
CID 4600245
N'-ethylnonanediamide
CID 18377762
N-ethyl-5-oxopentanamide
CID 54062498
N'-ethyldodecanediamide
CID 175230920
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791
N-ethylbutanamide;methanimine
CID 142280316

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4-oxohept-5-enamide?
The IUPAC name of N-ethyl-6-methyl-4-oxohept-5-enamide (CID 90339098) is N-ethyl-6-methyl-4-oxohept-5-enamide.
What is the SMILES notation for N-ethyl-6-methyl-4-oxohept-5-enamide?
The canonical SMILES for N-ethyl-6-methyl-4-oxohept-5-enamide is CCNC(=O)CCC(=O)C=C(C)C.
What is the InChIKey of N-ethyl-6-methyl-4-oxohept-5-enamide?
The InChIKey is WDICSKMQJMZHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-11-10(13)6-5-9(12)7-8(2)3/h7H,4-6H2,1-3H3,(H,11,13).
What are the key properties of N-ethyl-6-methyl-4-oxohept-5-enamide?
N-ethyl-6-methyl-4-oxohept-5-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-4-oxohept-5-enamide is sourced from PubChem (CID 90339098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).