N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide

C13H17NO — CID 58065579

IUPACN-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide
SMILESCCC=CC=CCC(=O)NC1=CC=CC1
InChIInChI=1S/C13H17NO/c1-2-3-4-5-6-11-13(15)14-12-9-7-8-10-12/h3-9H,2,10-11H2,1H3,(H,14,15)
InChIKeyPZSQUEXSACCYAE-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.86
Rot. Bonds5

About N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide

N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide (PubChem CID 58065579) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide.

Molecular Properties

Compound NameN-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide
PubChem CID58065579
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide
SMILESCCC=CC=CCC(=O)NC1=CC=CC1
InChIInChI=1S/C13H17NO/c1-2-3-4-5-6-11-13(15)14-12-9-7-8-10-12/h3-9H,2,10-11H2,1H3,(H,14,15)
InChIKeyPZSQUEXSACCYAE-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.86
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 N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide?
The IUPAC name of N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide (CID 58065579) is N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide.
What is the SMILES notation for N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide?
The canonical SMILES for N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide is CCC=CC=CCC(=O)NC1=CC=CC1.
What is the InChIKey of N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide?
The InChIKey is PZSQUEXSACCYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-4-5-6-11-13(15)14-12-9-7-8-10-12/h3-9H,2,10-11H2,1H3,(H,14,15).
What are the key properties of N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide?
N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide has a molecular weight of 203.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta-1,3-dien-1-ylocta-3,5-dienamide is sourced from PubChem (CID 58065579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).