(2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide

C14H24N2O — CID 87362083

IUPAC(2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NN1CCCC1
InChIInChI=1S/C14H24N2O/c1-2-3-4-5-6-7-8-11-14(17)15-16-12-9-10-13-16/h6-8,11H,2-5,9-10,12-13H2,1H3,(H,15,17)/b7-6+,11-8+
InChIKeyKYPXLBVTJRZANG-HRCSPUOPSA-N
MW236.36 g/mol
LogP2.81
Rot. Bonds7

About (2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide

(2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide (PubChem CID 87362083) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide
PubChem CID87362083
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NN1CCCC1
InChIInChI=1S/C14H24N2O/c1-2-3-4-5-6-7-8-11-14(17)15-16-12-9-10-13-16/h6-8,11H,2-5,9-10,12-13H2,1H3,(H,15,17)/b7-6+,11-8+
InChIKeyKYPXLBVTJRZANG-HRCSPUOPSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.81
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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Related Compounds

(2E,4Z)-N-methyldeca-2,4-dienamide
CID 87311130
1-pyrrolidin-1-ylicosa-2,4,14-trien-1-one
CID 76515599
(2E,4E,12Z)-1-pyrrolidin-1-yloctadeca-2,4,12-trien-1-one
CID 57338317
N-methylhexadeca-2,4-dienamide
CID 123429480
N-methyltetradeca-2,4-dienamide
CID 123476396
(2E,4Z)-N-tert-butyldeca-2,4-dienamide
CID 87311123
(2Z,4E)-deca-2,4-dienoic acid
CID 5282780
(3E,5E,7E)-trideca-3,5,7-trien-2-one
CID 118922947
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
cyclopropane;methyl icosa-2,4,6,8,10-pentaenoate
CID 173004856
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide
CID 21158622

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide (CID 87362083) is (2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide is CCCCC/C=C/C=C/C(=O)NN1CCCC1.
What is the InChIKey of (2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide?
The InChIKey is KYPXLBVTJRZANG-HRCSPUOPSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-4-5-6-7-8-11-14(17)15-16-12-9-10-13-16/h6-8,11H,2-5,9-10,12-13H2,1H3,(H,15,17)/b7-6+,11-8+.
What are the key properties of (2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide?
(2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide has a molecular weight of 236.36 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-pyrrolidin-1-yldeca-2,4-dienamide is sourced from PubChem (CID 87362083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).