N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide

C15H25NO — CID 23115924

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)C1CC1C
InChIInChI=1S/C15H25NO/c1-11(2)6-5-7-12(3)8-9-16-15(17)14-10-13(14)4/h6,8,13-14H,5,7,9-10H2,1-4H3,(H,16,17)/b12-8+
InChIKeyQSCXRQNUOWERIY-XYOKQWHBSA-N
MW235.37 g/mol
LogP3.45
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 23115924) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide
PubChem CID23115924
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)C1CC1C
InChIInChI=1S/C15H25NO/c1-11(2)6-5-7-12(3)8-9-16-15(17)14-10-13(14)4/h6,8,13-14H,5,7,9-10H2,1-4H3,(H,16,17)/b12-8+
InChIKeyQSCXRQNUOWERIY-XYOKQWHBSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide (CID 23115924) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide is CC(C)=CCC/C(C)=C/CNC(=O)C1CC1C.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is QSCXRQNUOWERIY-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)6-5-7-12(3)8-9-16-15(17)14-10-13(14)4/h6,8,13-14H,5,7,9-10H2,1-4H3,(H,16,17)/b12-8+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 235.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 23115924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).