(2E)-4-chloro-2-methylpenta-2,4-dienamide

C6H8ClNO — CID 88966274

IUPAC(2E)-4-chloro-2-methylpenta-2,4-dienamide
SMILESC=C(Cl)/C=C(\C)C(N)=O
InChIInChI=1S/C6H8ClNO/c1-4(6(8)9)3-5(2)7/h3H,2H2,1H3,(H2,8,9)/b4-3+
InChIKeyMGZUVVQVMLVPIH-ONEGZZNKSA-N
MW145.59 g/mol
LogP1.17
Rot. Bonds2

About (2E)-4-chloro-2-methylpenta-2,4-dienamide

(2E)-4-chloro-2-methylpenta-2,4-dienamide (PubChem CID 88966274) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is (2E)-4-chloro-2-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-4-chloro-2-methylpenta-2,4-dienamide
PubChem CID88966274
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name(2E)-4-chloro-2-methylpenta-2,4-dienamide
SMILESC=C(Cl)/C=C(\C)C(N)=O
InChIInChI=1S/C6H8ClNO/c1-4(6(8)9)3-5(2)7/h3H,2H2,1H3,(H2,8,9)/b4-3+
InChIKeyMGZUVVQVMLVPIH-ONEGZZNKSA-N
XLogP1.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.17
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 (2E)-4-chloro-2-methylpenta-2,4-dienamide?
The IUPAC name of (2E)-4-chloro-2-methylpenta-2,4-dienamide (CID 88966274) is (2E)-4-chloro-2-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-4-chloro-2-methylpenta-2,4-dienamide?
The canonical SMILES for (2E)-4-chloro-2-methylpenta-2,4-dienamide is C=C(Cl)/C=C(\C)C(N)=O.
What is the InChIKey of (2E)-4-chloro-2-methylpenta-2,4-dienamide?
The InChIKey is MGZUVVQVMLVPIH-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H8ClNO/c1-4(6(8)9)3-5(2)7/h3H,2H2,1H3,(H2,8,9)/b4-3+.
What are the key properties of (2E)-4-chloro-2-methylpenta-2,4-dienamide?
(2E)-4-chloro-2-methylpenta-2,4-dienamide has a molecular weight of 145.59 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-chloro-2-methylpenta-2,4-dienamide is sourced from PubChem (CID 88966274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).