N-[(2E)-penta-2,4-dienylidene]acetamide

C7H9NO — CID 123313739

IUPACN-[(2E)-penta-2,4-dienylidene]acetamide
SMILESC=C/C=C/C=N/C(C)=O
InChIInChI=1S/C7H9NO/c1-3-4-5-6-8-7(2)9/h3-6H,1H2,2H3/b5-4+,8-6+
InChIKeyQNMPXWMDWJQBIC-DVBIZMGNSA-N
MW123.15 g/mol
LogP1.35
Rot. Bonds2

About N-[(2E)-penta-2,4-dienylidene]acetamide

N-[(2E)-penta-2,4-dienylidene]acetamide (PubChem CID 123313739) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is N-[(2E)-penta-2,4-dienylidene]acetamide.

Molecular Properties

Compound NameN-[(2E)-penta-2,4-dienylidene]acetamide
PubChem CID123313739
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC NameN-[(2E)-penta-2,4-dienylidene]acetamide
SMILESC=C/C=C/C=N/C(C)=O
InChIInChI=1S/C7H9NO/c1-3-4-5-6-8-7(2)9/h3-6H,1H2,2H3/b5-4+,8-6+
InChIKeyQNMPXWMDWJQBIC-DVBIZMGNSA-N
XLogP1.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-penta-2,4-dienylidene]acetamide?
The IUPAC name of N-[(2E)-penta-2,4-dienylidene]acetamide (CID 123313739) is N-[(2E)-penta-2,4-dienylidene]acetamide.
What is the SMILES notation for N-[(2E)-penta-2,4-dienylidene]acetamide?
The canonical SMILES for N-[(2E)-penta-2,4-dienylidene]acetamide is C=C/C=C/C=N/C(C)=O.
What is the InChIKey of N-[(2E)-penta-2,4-dienylidene]acetamide?
The InChIKey is QNMPXWMDWJQBIC-DVBIZMGNSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-4-5-6-8-7(2)9/h3-6H,1H2,2H3/b5-4+,8-6+.
What are the key properties of N-[(2E)-penta-2,4-dienylidene]acetamide?
N-[(2E)-penta-2,4-dienylidene]acetamide has a molecular weight of 123.15 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-penta-2,4-dienylidene]acetamide is sourced from PubChem (CID 123313739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).