4-cyclopropyl-2-ethylpenta-2,4-dienamide

C10H15NO — CID 90933129

IUPAC4-cyclopropyl-2-ethylpenta-2,4-dienamide
SMILESC=C(C=C(CC)C(N)=O)C1CC1
InChIInChI=1S/C10H15NO/c1-3-8(10(11)12)6-7(2)9-4-5-9/h6,9H,2-5H2,1H3,(H2,11,12)
InChIKeyLPJSHHBAHWRCJX-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.77
Rot. Bonds4

About 4-cyclopropyl-2-ethylpenta-2,4-dienamide

4-cyclopropyl-2-ethylpenta-2,4-dienamide (PubChem CID 90933129) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-cyclopropyl-2-ethylpenta-2,4-dienamide.

Molecular Properties

Compound Name4-cyclopropyl-2-ethylpenta-2,4-dienamide
PubChem CID90933129
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-cyclopropyl-2-ethylpenta-2,4-dienamide
SMILESC=C(C=C(CC)C(N)=O)C1CC1
InChIInChI=1S/C10H15NO/c1-3-8(10(11)12)6-7(2)9-4-5-9/h6,9H,2-5H2,1H3,(H2,11,12)
InChIKeyLPJSHHBAHWRCJX-UHFFFAOYSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.77
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 4-cyclopropyl-2-ethylpenta-2,4-dienamide?
The IUPAC name of 4-cyclopropyl-2-ethylpenta-2,4-dienamide (CID 90933129) is 4-cyclopropyl-2-ethylpenta-2,4-dienamide.
What is the SMILES notation for 4-cyclopropyl-2-ethylpenta-2,4-dienamide?
The canonical SMILES for 4-cyclopropyl-2-ethylpenta-2,4-dienamide is C=C(C=C(CC)C(N)=O)C1CC1.
What is the InChIKey of 4-cyclopropyl-2-ethylpenta-2,4-dienamide?
The InChIKey is LPJSHHBAHWRCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-8(10(11)12)6-7(2)9-4-5-9/h6,9H,2-5H2,1H3,(H2,11,12).
What are the key properties of 4-cyclopropyl-2-ethylpenta-2,4-dienamide?
4-cyclopropyl-2-ethylpenta-2,4-dienamide has a molecular weight of 165.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-ethylpenta-2,4-dienamide is sourced from PubChem (CID 90933129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).