N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide

C12H21NO — CID 101347649

IUPACN-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide
SMILESCC(=O)N/C=C(/C=C/C(C)C)C(C)C
InChIInChI=1S/C12H21NO/c1-9(2)6-7-12(10(3)4)8-13-11(5)14/h6-10H,1-5H3,(H,13,14)/b7-6+,12-8-
InChIKeyUDTSAVZJOFEBSZ-KWUPLBGHSA-N
MW195.31 g/mol
LogP2.87
Rot. Bonds4

About N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide

N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide (PubChem CID 101347649) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide.

Molecular Properties

Compound NameN-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide
PubChem CID101347649
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide
SMILESCC(=O)N/C=C(/C=C/C(C)C)C(C)C
InChIInChI=1S/C12H21NO/c1-9(2)6-7-12(10(3)4)8-13-11(5)14/h6-10H,1-5H3,(H,13,14)/b7-6+,12-8-
InChIKeyUDTSAVZJOFEBSZ-KWUPLBGHSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide?
The IUPAC name of N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide (CID 101347649) is N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide.
What is the SMILES notation for N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide?
The canonical SMILES for N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide is CC(=O)N/C=C(/C=C/C(C)C)C(C)C.
What is the InChIKey of N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide?
The InChIKey is UDTSAVZJOFEBSZ-KWUPLBGHSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)6-7-12(10(3)4)8-13-11(5)14/h6-10H,1-5H3,(H,13,14)/b7-6+,12-8-.
What are the key properties of N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide?
N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide has a molecular weight of 195.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-5-methyl-2-propan-2-ylhexa-1,3-dienyl]acetamide is sourced from PubChem (CID 101347649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).