ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide

C11H21NO — CID 142287252

IUPACethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide
SMILESC=C/C=C(\CC)CNC(C)=O.CC
InChIInChI=1S/C9H15NO.C2H6/c1-4-6-9(5-2)7-10-8(3)11;1-2/h4,6H,1,5,7H2,2-3H3,(H,10,11);1-2H3/b9-6+;
InChIKeyDFYWYTLTOXUZMV-MLBSPLJJSA-N
MW183.29 g/mol
LogP2.67
Rot. Bonds4

About ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide

ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide (PubChem CID 142287252) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide
PubChem CID142287252
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Nameethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide
SMILESC=C/C=C(\CC)CNC(C)=O.CC
InChIInChI=1S/C9H15NO.C2H6/c1-4-6-9(5-2)7-10-8(3)11;1-2/h4,6H,1,5,7H2,2-3H3,(H,10,11);1-2H3/b9-6+;
InChIKeyDFYWYTLTOXUZMV-MLBSPLJJSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.67
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 ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide?
The IUPAC name of ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide (CID 142287252) is ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide.
What is the SMILES notation for ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide?
The canonical SMILES for ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide is C=C/C=C(\CC)CNC(C)=O.CC.
What is the InChIKey of ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide?
The InChIKey is DFYWYTLTOXUZMV-MLBSPLJJSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-4-6-9(5-2)7-10-8(3)11;1-2/h4,6H,1,5,7H2,2-3H3,(H,10,11);1-2H3/b9-6+;.
What are the key properties of ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide?
ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide has a molecular weight of 183.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide is sourced from PubChem (CID 142287252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).