N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide

C11H19NO — CID 58719512

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide
SMILESCC(C)=CCC/C(C)=C/CNC=O
InChIInChI=1S/C11H19NO/c1-10(2)5-4-6-11(3)7-8-12-9-13/h5,7,9H,4,6,8H2,1-3H3,(H,12,13)/b11-7+
InChIKeyMPAPDPUFAFHGTO-YRNVUSSQSA-N
MW181.28 g/mol
LogP2.43
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide (PubChem CID 58719512) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide
PubChem CID58719512
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide
SMILESCC(C)=CCC/C(C)=C/CNC=O
InChIInChI=1S/C11H19NO/c1-10(2)5-4-6-11(3)7-8-12-9-13/h5,7,9H,4,6,8H2,1-3H3,(H,12,13)/b11-7+
InChIKeyMPAPDPUFAFHGTO-YRNVUSSQSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]formamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide (CID 58719512) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide is CC(C)=CCC/C(C)=C/CNC=O.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide?
The InChIKey is MPAPDPUFAFHGTO-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)5-4-6-11(3)7-8-12-9-13/h5,7,9H,4,6,8H2,1-3H3,(H,12,13)/b11-7+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide has a molecular weight of 181.28 g/mol, XLogP of 2.43, 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]formamide is sourced from PubChem (CID 58719512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).