(2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal

C16H23NO2 — CID 44561546

IUPAC(2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal
SMILESC/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N1CCCC1
InChIInChI=1S/C16H23NO2/c1-14(7-5-9-15(2)13-18)8-6-10-16(19)17-11-3-4-12-17/h6,8-10,13H,3-5,7,11-12H2,1-2H3/b10-6+,14-8+,15-9+
InChIKeyVOMDUWUNYFLEIJ-GRVFCJIBSA-N
MW261.36 g/mol
LogP3.04
Rot. Bonds6

About (2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal

(2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal (PubChem CID 44561546) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal.

Molecular Properties

Compound Name(2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal
PubChem CID44561546
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal
SMILESC/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N1CCCC1
InChIInChI=1S/C16H23NO2/c1-14(7-5-9-15(2)13-18)8-6-10-16(19)17-11-3-4-12-17/h6,8-10,13H,3-5,7,11-12H2,1-2H3/b10-6+,14-8+,15-9+
InChIKeyVOMDUWUNYFLEIJ-GRVFCJIBSA-N
XLogP3.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E,4E,6E)-2,4,6-dodecatrienoyl]pyrrolidine
CID 50994143
(2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one
CID 44561466
(2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal
CID 44561510
(2E,4E,8E)-5,9-dimethyl-10-oxo-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561548
(2E,4E)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-one
CID 134979174
1-Pyrrolidin-1-yltetradeca-2,4,8,11-tetraen-1-one
CID 162999634
4-fluoro-N-(4-oxobutyl)-N-propylcyclohexa-1,5-diene-1-carboxamide
CID 172595561
(E)-3-(1-methyl-5-oxo-2H-pyrrol-3-yl)prop-2-enal
CID 13815152
(Z)-3-(1-methyl-5-oxo-2H-pyrrol-3-yl)prop-2-enal
CID 13815153
3-(1-methyl-5-oxo-2H-pyrrol-3-yl)prop-2-enal
CID 85545857
4-(3-Methyl-2-oxopyrrolidin-1-yl)cyclohexa-1,5-diene-1-carbaldehyde
CID 88943879
(2E,4E)-1-pyrrolidin-1-ylnona-2,4-dien-1-one
CID 89268564

Frequently Asked Questions

What is the IUPAC name of (2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal?
The IUPAC name of (2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal (CID 44561546) is (2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal.
What is the SMILES notation for (2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal?
The canonical SMILES for (2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal is C/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N1CCCC1.
What is the InChIKey of (2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal?
The InChIKey is VOMDUWUNYFLEIJ-GRVFCJIBSA-N. The full InChI is InChI=1S/C16H23NO2/c1-14(7-5-9-15(2)13-18)8-6-10-16(19)17-11-3-4-12-17/h6,8-10,13H,3-5,7,11-12H2,1-2H3/b10-6+,14-8+,15-9+.
What are the key properties of (2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal?
(2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal has a molecular weight of 261.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8E)-2,6-dimethyl-10-oxo-10-pyrrolidin-1-yldeca-2,6,8-trienal is sourced from PubChem (CID 44561546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).