N-methylpenta-2,4-dienamide

C6H9NO — CID 3384152

IUPACN-methylpenta-2,4-dienamide
SMILESC=CC=CC(=O)NC
InChIInChI=1S/C6H9NO/c1-3-4-5-6(8)7-2/h3-5H,1H2,2H3,(H,7,8)
InChIKeyCJZCRCZJMQCHEC-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.47
Rot. Bonds2

About N-methylpenta-2,4-dienamide

N-methylpenta-2,4-dienamide (PubChem CID 3384152) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-methylpenta-2,4-dienamide.

Molecular Properties

Compound NameN-methylpenta-2,4-dienamide
PubChem CID3384152
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-methylpenta-2,4-dienamide
SMILESC=CC=CC(=O)NC
InChIInChI=1S/C6H9NO/c1-3-4-5-6(8)7-2/h3-5H,1H2,2H3,(H,7,8)
InChIKeyCJZCRCZJMQCHEC-UHFFFAOYSA-N
XLogP0.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylpenta-2,4-dienamide?
The IUPAC name of N-methylpenta-2,4-dienamide (CID 3384152) is N-methylpenta-2,4-dienamide.
What is the SMILES notation for N-methylpenta-2,4-dienamide?
The canonical SMILES for N-methylpenta-2,4-dienamide is C=CC=CC(=O)NC.
What is the InChIKey of N-methylpenta-2,4-dienamide?
The InChIKey is CJZCRCZJMQCHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-4-5-6(8)7-2/h3-5H,1H2,2H3,(H,7,8).
What are the key properties of N-methylpenta-2,4-dienamide?
N-methylpenta-2,4-dienamide has a molecular weight of 111.14 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpenta-2,4-dienamide is sourced from PubChem (CID 3384152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).