2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide

C9H15NO3 — CID 146555235

IUPAC2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide
SMILESC=C/C=C\CNC(=O)C(OC)OC
InChIInChI=1S/C9H15NO3/c1-4-5-6-7-10-8(11)9(12-2)13-3/h4-6,9H,1,7H2,2-3H3,(H,10,11)/b6-5-
InChIKeyDCZUJYJTTHQWBA-WAYWQWQTSA-N
MW185.22 g/mol
LogP0.46
Rot. Bonds6

About 2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide

2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide (PubChem CID 146555235) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide.

Molecular Properties

Compound Name2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide
PubChem CID146555235
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide
SMILESC=C/C=C\CNC(=O)C(OC)OC
InChIInChI=1S/C9H15NO3/c1-4-5-6-7-10-8(11)9(12-2)13-3/h4-6,9H,1,7H2,2-3H3,(H,10,11)/b6-5-
InChIKeyDCZUJYJTTHQWBA-WAYWQWQTSA-N
XLogP0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide?
The IUPAC name of 2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide (CID 146555235) is 2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide.
What is the SMILES notation for 2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide?
The canonical SMILES for 2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide is C=C/C=C\CNC(=O)C(OC)OC.
What is the InChIKey of 2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide?
The InChIKey is DCZUJYJTTHQWBA-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-5-6-7-10-8(11)9(12-2)13-3/h4-6,9H,1,7H2,2-3H3,(H,10,11)/b6-5-.
What are the key properties of 2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide?
2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide has a molecular weight of 185.22 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[(2Z)-penta-2,4-dienyl]acetamide is sourced from PubChem (CID 146555235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).