(3Z)-3-ethenyl-N-propylhexa-3,5-dienamide

C11H17NO — CID 142506323

IUPAC(3Z)-3-ethenyl-N-propylhexa-3,5-dienamide
SMILESC=C/C=C(\C=C)CC(=O)NCCC
InChIInChI=1S/C11H17NO/c1-4-7-10(6-3)9-11(13)12-8-5-2/h4,6-7H,1,3,5,8-9H2,2H3,(H,12,13)/b10-7+
InChIKeyRRHHHPJAGFXJDW-JXMROGBWSA-N
MW179.26 g/mol
LogP2.20
Rot. Bonds6

About (3Z)-3-ethenyl-N-propylhexa-3,5-dienamide

(3Z)-3-ethenyl-N-propylhexa-3,5-dienamide (PubChem CID 142506323) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3Z)-3-ethenyl-N-propylhexa-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-3-ethenyl-N-propylhexa-3,5-dienamide
PubChem CID142506323
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3Z)-3-ethenyl-N-propylhexa-3,5-dienamide
SMILESC=C/C=C(\C=C)CC(=O)NCCC
InChIInChI=1S/C11H17NO/c1-4-7-10(6-3)9-11(13)12-8-5-2/h4,6-7H,1,3,5,8-9H2,2H3,(H,12,13)/b10-7+
InChIKeyRRHHHPJAGFXJDW-JXMROGBWSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.20
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 (3Z)-3-ethenyl-N-propylhexa-3,5-dienamide?
The IUPAC name of (3Z)-3-ethenyl-N-propylhexa-3,5-dienamide (CID 142506323) is (3Z)-3-ethenyl-N-propylhexa-3,5-dienamide.
What is the SMILES notation for (3Z)-3-ethenyl-N-propylhexa-3,5-dienamide?
The canonical SMILES for (3Z)-3-ethenyl-N-propylhexa-3,5-dienamide is C=C/C=C(\C=C)CC(=O)NCCC.
What is the InChIKey of (3Z)-3-ethenyl-N-propylhexa-3,5-dienamide?
The InChIKey is RRHHHPJAGFXJDW-JXMROGBWSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-7-10(6-3)9-11(13)12-8-5-2/h4,6-7H,1,3,5,8-9H2,2H3,(H,12,13)/b10-7+.
What are the key properties of (3Z)-3-ethenyl-N-propylhexa-3,5-dienamide?
(3Z)-3-ethenyl-N-propylhexa-3,5-dienamide has a molecular weight of 179.26 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-N-propylhexa-3,5-dienamide is sourced from PubChem (CID 142506323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).