benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide

C16H21NO — CID 144955417

IUPACbenzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide
SMILESC=C/C=C(\C=C)CC(=O)NCC.c1ccccc1
InChIInChI=1S/C10H15NO.C6H6/c1-4-7-9(5-2)8-10(12)11-6-3;1-2-4-6-5-3-1/h4-5,7H,1-2,6,8H2,3H3,(H,11,12);1-6H/b9-7+;
InChIKeyPEMFHNIWZIXKPE-BXTVWIJMSA-N
MW243.35 g/mol
LogP3.50
Rot. Bonds5

About benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide

benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide (PubChem CID 144955417) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide.

Molecular Properties

Compound Namebenzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide
PubChem CID144955417
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Namebenzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide
SMILESC=C/C=C(\C=C)CC(=O)NCC.c1ccccc1
InChIInChI=1S/C10H15NO.C6H6/c1-4-7-9(5-2)8-10(12)11-6-3;1-2-4-6-5-3-1/h4-5,7H,1-2,6,8H2,3H3,(H,11,12);1-6H/b9-7+;
InChIKeyPEMFHNIWZIXKPE-BXTVWIJMSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide?
The IUPAC name of benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide (CID 144955417) is benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide.
What is the SMILES notation for benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide?
The canonical SMILES for benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide is C=C/C=C(\C=C)CC(=O)NCC.c1ccccc1.
What is the InChIKey of benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide?
The InChIKey is PEMFHNIWZIXKPE-BXTVWIJMSA-N. The full InChI is InChI=1S/C10H15NO.C6H6/c1-4-7-9(5-2)8-10(12)11-6-3;1-2-4-6-5-3-1/h4-5,7H,1-2,6,8H2,3H3,(H,11,12);1-6H/b9-7+;.
What are the key properties of benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide?
benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide has a molecular weight of 243.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(3Z)-3-ethenyl-N-ethylhexa-3,5-dienamide is sourced from PubChem (CID 144955417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).