(Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide

C10H17NO2 — CID 58554621

IUPAC(Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide
SMILESCCNC(=O)/C=C\C(=O)C(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-11-9(13)7-6-8(12)10(2,3)4/h6-7H,5H2,1-4H3,(H,11,13)/b7-6-
InChIKeyMHSHFQMCAOGKNK-SREVYHEPSA-N
MW183.25 g/mol
LogP1.29
Rot. Bonds3

About (Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide

(Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide (PubChem CID 58554621) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide
PubChem CID58554621
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide
SMILESCCNC(=O)/C=C\C(=O)C(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-11-9(13)7-6-8(12)10(2,3)4/h6-7H,5H2,1-4H3,(H,11,13)/b7-6-
InChIKeyMHSHFQMCAOGKNK-SREVYHEPSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.29
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide?
The IUPAC name of (Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide (CID 58554621) is (Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide.
What is the SMILES notation for (Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide?
The canonical SMILES for (Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide is CCNC(=O)/C=C\C(=O)C(C)(C)C.
What is the InChIKey of (Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide?
The InChIKey is MHSHFQMCAOGKNK-SREVYHEPSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-11-9(13)7-6-8(12)10(2,3)4/h6-7H,5H2,1-4H3,(H,11,13)/b7-6-.
What are the key properties of (Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide?
(Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide is sourced from PubChem (CID 58554621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).