(E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide

C10H15NO2 — CID 155586145

IUPAC(E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide
SMILESC/C=C(C=O)\C(=C/CC)C(=O)NC
InChIInChI=1S/C10H15NO2/c1-4-6-9(10(13)11-3)8(5-2)7-12/h5-7H,4H2,1-3H3,(H,11,13)/b8-5-,9-6+
InChIKeyXOWDYHQKUBTSHG-LDFAFZTOSA-N
MW181.23 g/mol
LogP1.21
Rot. Bonds4

About (E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide

(E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide (PubChem CID 155586145) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide
PubChem CID155586145
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide
SMILESC/C=C(C=O)\C(=C/CC)C(=O)NC
InChIInChI=1S/C10H15NO2/c1-4-6-9(10(13)11-3)8(5-2)7-12/h5-7H,4H2,1-3H3,(H,11,13)/b8-5-,9-6+
InChIKeyXOWDYHQKUBTSHG-LDFAFZTOSA-N
XLogP1.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(methylamino)pent-2-enal
CID 144647822
(E)-2-amino-N-methylpent-2-enamide
CID 166472406
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
(2Z,3Z,5E)-5-chloro-N-methyl-2-propylidenehepta-3,5-dienamide
CID 162732303
(2E,4Z)-N-methyl-2-[(2E)-1-oxopenta-2,4-dien-2-yl]hexa-2,4-dienamide
CID 143603280
(E)-3-[(E)-1-(methylamino)but-2-en-2-yl]hex-3-en-2-one
CID 171822075
2-fluoro-N-methylbut-2-enamide
CID 76578732
(2E,3E)-5-chloro-2-ethylidene-3-(methylamino)hexa-3,5-dienal;propane
CID 143662335
N,N'-di((113C)methyl)oxamide
CID 169438737
methyl (E)-2-formylbut-2-enoate
CID 13359377
(E)-3-ethenyl-2-oxohex-3-enal
CID 143240518
(Z)-N-methyl-2-(methylamino)but-2-enamide
CID 88684309

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide?
The IUPAC name of (E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide (CID 155586145) is (E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide.
What is the SMILES notation for (E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide?
The canonical SMILES for (E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide is C/C=C(C=O)\C(=C/CC)C(=O)NC.
What is the InChIKey of (E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide?
The InChIKey is XOWDYHQKUBTSHG-LDFAFZTOSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-6-9(10(13)11-3)8(5-2)7-12/h5-7H,4H2,1-3H3,(H,11,13)/b8-5-,9-6+.
What are the key properties of (E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide?
(E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide has a molecular weight of 181.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-[(E)-1-oxobut-2-en-2-yl]pent-2-enamide is sourced from PubChem (CID 155586145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).