N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide

C8H12ClNO — CID 142119428

IUPACN-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide
SMILESC/C=C(\C=C/CCl)NC(C)=O
InChIInChI=1S/C8H12ClNO/c1-3-8(5-4-6-9)10-7(2)11/h3-5H,6H2,1-2H3,(H,10,11)/b5-4-,8-3+
InChIKeyRAEJSJPLHJWQAJ-UEQFWHKLSA-N
MW173.64 g/mol
LogP1.82
Rot. Bonds3

About N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide

N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide (PubChem CID 142119428) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide
PubChem CID142119428
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC NameN-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide
SMILESC/C=C(\C=C/CCl)NC(C)=O
InChIInChI=1S/C8H12ClNO/c1-3-8(5-4-6-9)10-7(2)11/h3-5H,6H2,1-2H3,(H,10,11)/b5-4-,8-3+
InChIKeyRAEJSJPLHJWQAJ-UEQFWHKLSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide?
The IUPAC name of N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide (CID 142119428) is N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide.
What is the SMILES notation for N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide?
The canonical SMILES for N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide is C/C=C(\C=C/CCl)NC(C)=O.
What is the InChIKey of N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide?
The InChIKey is RAEJSJPLHJWQAJ-UEQFWHKLSA-N. The full InChI is InChI=1S/C8H12ClNO/c1-3-8(5-4-6-9)10-7(2)11/h3-5H,6H2,1-2H3,(H,10,11)/b5-4-,8-3+.
What are the key properties of N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide?
N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide has a molecular weight of 173.64 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]acetamide is sourced from PubChem (CID 142119428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).