(2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide

C10H15NO — CID 143357127

IUPAC(2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
SMILESC=C/C=C(\C=C/C)[C@H](C)C(N)=O
InChIInChI=1S/C10H15NO/c1-4-6-9(7-5-2)8(3)10(11)12/h4-8H,1H2,2-3H3,(H2,11,12)/b7-5-,9-6+/t8-/m0/s1
InChIKeyQIXJUPDEIYUXAY-JFLRVXOESA-N
MW165.24 g/mol
LogP1.80
Rot. Bonds4

About (2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide

(2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide (PubChem CID 143357127) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide.

Molecular Properties

Compound Name(2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
PubChem CID143357127
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
SMILESC=C/C=C(\C=C/C)[C@H](C)C(N)=O
InChIInChI=1S/C10H15NO/c1-4-6-9(7-5-2)8(3)10(11)12/h4-8H,1H2,2-3H3,(H2,11,12)/b7-5-,9-6+/t8-/m0/s1
InChIKeyQIXJUPDEIYUXAY-JFLRVXOESA-N
XLogP1.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-oct-4-enamide
CID 11378544
Dihydrobenzoylamine
CID 18942709
Hept-5-ene-2-carboxamide
CID 21660794
Oct-4-enamide
CID 53432400
11-Tetradecatetraenamide
CID 129847889
12-Tetradecapentaenamide
CID 129847893
8-Decatrienamide
CID 129848103
2-Oxomethylenebenzamide
CID 129851024
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide
CID 88586585
5-Fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
CID 129273137
2-(4-Fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 132159217

Frequently Asked Questions

What is the IUPAC name of (2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide?
The IUPAC name of (2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide (CID 143357127) is (2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide.
What is the SMILES notation for (2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide?
The canonical SMILES for (2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide is C=C/C=C(\C=C/C)[C@H](C)C(N)=O.
What is the InChIKey of (2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide?
The InChIKey is QIXJUPDEIYUXAY-JFLRVXOESA-N. The full InChI is InChI=1S/C10H15NO/c1-4-6-9(7-5-2)8(3)10(11)12/h4-8H,1H2,2-3H3,(H2,11,12)/b7-5-,9-6+/t8-/m0/s1.
What are the key properties of (2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide?
(2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide has a molecular weight of 165.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide is sourced from PubChem (CID 143357127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).