N-pyrrolidin-1-yldodeca-2,4-dienamide

C16H28N2O — CID 90730106

IUPACN-pyrrolidin-1-yldodeca-2,4-dienamide
SMILESCCCCCCCC=CC=CC(=O)NN1CCCC1
InChIInChI=1S/C16H28N2O/c1-2-3-4-5-6-7-8-9-10-13-16(19)17-18-14-11-12-15-18/h8-10,13H,2-7,11-12,14-15H2,1H3,(H,17,19)
InChIKeyHJIUSROHMILEGR-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.59
Rot. Bonds9

About N-pyrrolidin-1-yldodeca-2,4-dienamide

N-pyrrolidin-1-yldodeca-2,4-dienamide (PubChem CID 90730106) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-pyrrolidin-1-yldodeca-2,4-dienamide.

Molecular Properties

Compound NameN-pyrrolidin-1-yldodeca-2,4-dienamide
PubChem CID90730106
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-pyrrolidin-1-yldodeca-2,4-dienamide
SMILESCCCCCCCC=CC=CC(=O)NN1CCCC1
InChIInChI=1S/C16H28N2O/c1-2-3-4-5-6-7-8-9-10-13-16(19)17-18-14-11-12-15-18/h8-10,13H,2-7,11-12,14-15H2,1H3,(H,17,19)
InChIKeyHJIUSROHMILEGR-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-1-yldodeca-2,4-dienamide?
The IUPAC name of N-pyrrolidin-1-yldodeca-2,4-dienamide (CID 90730106) is N-pyrrolidin-1-yldodeca-2,4-dienamide.
What is the SMILES notation for N-pyrrolidin-1-yldodeca-2,4-dienamide?
The canonical SMILES for N-pyrrolidin-1-yldodeca-2,4-dienamide is CCCCCCCC=CC=CC(=O)NN1CCCC1.
What is the InChIKey of N-pyrrolidin-1-yldodeca-2,4-dienamide?
The InChIKey is HJIUSROHMILEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-3-4-5-6-7-8-9-10-13-16(19)17-18-14-11-12-15-18/h8-10,13H,2-7,11-12,14-15H2,1H3,(H,17,19).
What are the key properties of N-pyrrolidin-1-yldodeca-2,4-dienamide?
N-pyrrolidin-1-yldodeca-2,4-dienamide has a molecular weight of 264.41 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-1-yldodeca-2,4-dienamide is sourced from PubChem (CID 90730106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).