N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide

C15H23NO — CID 166703379

IUPACN-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide
SMILESC=CC=CCCN(C=CC)C(=O)CC=C(C)C
InChIInChI=1S/C15H23NO/c1-5-7-8-9-13-16(12-6-2)15(17)11-10-14(3)4/h5-8,10,12H,1,9,11,13H2,2-4H3
InChIKeyCMFMWSYIORFPHQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.84
Rot. Bonds7

About N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide

N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide (PubChem CID 166703379) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide.

Molecular Properties

Compound NameN-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide
PubChem CID166703379
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide
SMILESC=CC=CCCN(C=CC)C(=O)CC=C(C)C
InChIInChI=1S/C15H23NO/c1-5-7-8-9-13-16(12-6-2)15(17)11-10-14(3)4/h5-8,10,12H,1,9,11,13H2,2-4H3
InChIKeyCMFMWSYIORFPHQ-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide?
The IUPAC name of N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide (CID 166703379) is N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide.
What is the SMILES notation for N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide?
The canonical SMILES for N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide is C=CC=CCCN(C=CC)C(=O)CC=C(C)C.
What is the InChIKey of N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide?
The InChIKey is CMFMWSYIORFPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-7-8-9-13-16(12-6-2)15(17)11-10-14(3)4/h5-8,10,12H,1,9,11,13H2,2-4H3.
What are the key properties of N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide?
N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide has a molecular weight of 233.35 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-3,5-dienyl-4-methyl-N-prop-1-enylpent-3-enamide is sourced from PubChem (CID 166703379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).