(Z)-N-ethyl-5-methyl-4-oxohex-2-enamide

C9H15NO2 — CID 153372446

IUPAC(Z)-N-ethyl-5-methyl-4-oxohex-2-enamide
SMILESCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C9H15NO2/c1-4-10-9(12)6-5-8(11)7(2)3/h5-7H,4H2,1-3H3,(H,10,12)/b6-5-
InChIKeyPWQFPYSSKSCGSK-WAYWQWQTSA-N
MW169.22 g/mol
LogP0.90
Rot. Bonds4

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

(Z)-N-ethyl-5-methyl-4-oxohex-2-enamide (PubChem CID 153372446) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (Z)-N-ethyl-5-methyl-4-oxohex-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-5-methyl-4-oxohex-2-enamide
PubChem CID153372446
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(Z)-N-ethyl-5-methyl-4-oxohex-2-enamide
SMILESCCNC(=O)/C=C\C(=O)C(C)C
InChIInChI=1S/C9H15NO2/c1-4-10-9(12)6-5-8(11)7(2)3/h5-7H,4H2,1-3H3,(H,10,12)/b6-5-
InChIKeyPWQFPYSSKSCGSK-WAYWQWQTSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.90
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

(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 74405774
N-isobutyl-2,6-decadienamide
CID 129834243
(E)-N-(2-methylpropyl)hex-2-enamide
CID 101248015
2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide
CID 135080526
(E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide
CID 162406207
(2E,6Z)-N-(2-methylbutyl)nona-2,6-dienamide
CID 11241561
3-oxo-N-prop-2-enylcyclohexa-1,5-diene-1-carboxamide
CID 18354616
(E)-N-ethyl-4-methylpent-2-enamide
CID 21135742
(E)-N-ethyl-4-oxopent-2-enamide
CID 55300039
(2E,6Z)-N-(2-methylpropyl)nona-2,6-dienamide
CID 57979016
(Z)-N-ethyl-5,5-dimethyl-4-oxohex-2-enamide
CID 58554621

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-5-methyl-4-oxohex-2-enamide?
The IUPAC name of (Z)-N-ethyl-5-methyl-4-oxohex-2-enamide (CID 153372446) is (Z)-N-ethyl-5-methyl-4-oxohex-2-enamide.
What is the SMILES notation for (Z)-N-ethyl-5-methyl-4-oxohex-2-enamide?
The canonical SMILES for (Z)-N-ethyl-5-methyl-4-oxohex-2-enamide is CCNC(=O)/C=C\C(=O)C(C)C.
What is the InChIKey of (Z)-N-ethyl-5-methyl-4-oxohex-2-enamide?
The InChIKey is PWQFPYSSKSCGSK-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-10-9(12)6-5-8(11)7(2)3/h5-7H,4H2,1-3H3,(H,10,12)/b6-5-.
What are the key properties of (Z)-N-ethyl-5-methyl-4-oxohex-2-enamide?
(Z)-N-ethyl-5-methyl-4-oxohex-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-5-methyl-4-oxohex-2-enamide is sourced from PubChem (CID 153372446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).