N-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide

C16H27NO — CID 142089127

IUPACN-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide
SMILESCCC(C)/C=C\C(C)=C/CNC(=O)C1CCCC1
InChIInChI=1S/C16H27NO/c1-4-13(2)9-10-14(3)11-12-17-16(18)15-7-5-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,17,18)/b10-9-,14-11-
InChIKeyZPCKGANEILCAPJ-WEJYHURQSA-N
MW249.40 g/mol
LogP3.84
Rot. Bonds6

About N-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide

N-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide (PubChem CID 142089127) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide
PubChem CID142089127
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide
SMILESCCC(C)/C=C\C(C)=C/CNC(=O)C1CCCC1
InChIInChI=1S/C16H27NO/c1-4-13(2)9-10-14(3)11-12-17-16(18)15-7-5-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,17,18)/b10-9-,14-11-
InChIKeyZPCKGANEILCAPJ-WEJYHURQSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.84
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-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide (CID 142089127) is N-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide is CCC(C)/C=C\C(C)=C/CNC(=O)C1CCCC1.
What is the InChIKey of N-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide?
The InChIKey is ZPCKGANEILCAPJ-WEJYHURQSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-13(2)9-10-14(3)11-12-17-16(18)15-7-5-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,17,18)/b10-9-,14-11-.
What are the key properties of N-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide?
N-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide has a molecular weight of 249.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-3,6-dimethylocta-2,4-dienyl]cyclopentanecarboxamide is sourced from PubChem (CID 142089127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).