(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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Related Compounds

2-methyl-4-methylidenehex-2-enamide
CID 123970755
(3Z,5Z)-2-chloro-4,5-dimethylhepta-1,3,5-triene
CID 143318485
(3Z)-5-chloro-2,3-dimethylhexa-1,3,5-triene;ethane
CID 143320084
(3Z,5E)-2,5-dichloro-4-methylhepta-1,3,5-triene
CID 142202434
(2E,4Z)-2,4-dimethylhexa-2,4-dienamide
CID 143679852
azanium 4-amino-3-methyl-4-oxobut-2-enoate
CID 57371237
2-methylprop-2-enamide;prop-2-enoyl chloride
CID 174876854
oxiran-2-ylmethyl 4-chloro-2-methylpenta-2,4-dienoate
CID 174397183
2-methylprop-2-enamide;hydrate
CID 88749193
but-2-enoyl chloride;2-methylprop-2-enamide
CID 174791232
6-hydroxy-2-methyl-4-oxohex-2-enamide
CID 140528223
2,4-dimethylhepta-2,4-dienamide
CID 90684610

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).