N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide

C8H11NO2 — CID 123979154

IUPACN-[(2Z)-4-oxohexa-2,5-dienyl]acetamide
SMILESC=CC(=O)/C=C\CNC(C)=O
InChIInChI=1S/C8H11NO2/c1-3-8(11)5-4-6-9-7(2)10/h3-5H,1,6H2,2H3,(H,9,10)/b5-4-
InChIKeySCQJNFVDUUHVKY-PLNGDYQASA-N
MW153.18 g/mol
LogP0.43
Rot. Bonds4

About N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide

N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide (PubChem CID 123979154) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide.

Molecular Properties

Compound NameN-[(2Z)-4-oxohexa-2,5-dienyl]acetamide
PubChem CID123979154
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-[(2Z)-4-oxohexa-2,5-dienyl]acetamide
SMILESC=CC(=O)/C=C\CNC(C)=O
InChIInChI=1S/C8H11NO2/c1-3-8(11)5-4-6-9-7(2)10/h3-5H,1,6H2,2H3,(H,9,10)/b5-4-
InChIKeySCQJNFVDUUHVKY-PLNGDYQASA-N
XLogP0.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide?
The IUPAC name of N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide (CID 123979154) is N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide.
What is the SMILES notation for N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide?
The canonical SMILES for N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide is C=CC(=O)/C=C\CNC(C)=O.
What is the InChIKey of N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide?
The InChIKey is SCQJNFVDUUHVKY-PLNGDYQASA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-8(11)5-4-6-9-7(2)10/h3-5H,1,6H2,2H3,(H,9,10)/b5-4-.
What are the key properties of N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide?
N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide has a molecular weight of 153.18 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-4-oxohexa-2,5-dienyl]acetamide is sourced from PubChem (CID 123979154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).