(2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one

C16H27NO — CID 10999431

IUPAC(2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one
SMILESCCCCCCC/C=C/C=C/C(=O)N1CCCC1
InChIInChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17/h8-10,13H,2-7,11-12,14-15H2,1H3/b9-8+,13-10+
InChIKeyUAIYHWLHQSKQLW-PEGOPYGQSA-N
MW249.40 g/mol
LogP4.08
Rot. Bonds8

About (2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one

(2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one (PubChem CID 10999431) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one
PubChem CID10999431
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one
SMILESCCCCCCC/C=C/C=C/C(=O)N1CCCC1
InChIInChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17/h8-10,13H,2-7,11-12,14-15H2,1H3/b9-8+,13-10+
InChIKeyUAIYHWLHQSKQLW-PEGOPYGQSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Sarmentine
CID 6440616
(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one
CID 11173777
(2E,4E)-1-(Piperidin-1-yl)tetradeca-2,4-dien-1-one
CID 11130083
(2E,4Z-Decadienoyl)pyrrolidine
CID 46935132
Pipereicosalidine
CID 101634668
N-Oleylmaleimide
CID 45483976
(2E,4E)-1-(Pyrrolidin-1-yl)tetradeca-2,4-dien-1-one
CID 10923868
trans-2-Octadecenoic acid, pyrrolidide
CID 91705218
Pyrrolidine, 1-(1-oxo-2,4-octadecadienyl)-, (E,E)-
CID 10914594
(2E,4E)-1-(Piperidin-1-yl)octadeca-2,4-dien-1-one
CID 11782985
(2E,4E)-1-(1-Pyrrolidinyl)-2,4-decadien-1-one
CID 157276
Pyrrolidine, 1-(1-oxo-2,4-eicosadienyl)-, (E,E)-
CID 10872138

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one (CID 10999431) is (2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one is CCCCCCC/C=C/C=C/C(=O)N1CCCC1.
What is the InChIKey of (2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one?
The InChIKey is UAIYHWLHQSKQLW-PEGOPYGQSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-4-5-6-7-8-9-10-13-16(18)17-14-11-12-15-17/h8-10,13H,2-7,11-12,14-15H2,1H3/b9-8+,13-10+.
What are the key properties of (2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one?
(2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one has a molecular weight of 249.40 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-pyrrolidin-1-yldodeca-2,4-dien-1-one is sourced from PubChem (CID 10999431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).