(2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide

C18H21NO2 — CID 59753338

IUPAC(2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide
SMILESC/C=C/C=C/C=C/C=C/C=C/C(=O)NC1=C(C)CCC1=O
InChIInChI=1S/C18H21NO2/c1-3-4-5-6-7-8-9-10-11-12-17(21)19-18-15(2)13-14-16(18)20/h3-12H,13-14H2,1-2H3,(H,19,21)/b4-3+,6-5+,8-7+,10-9+,12-11+
InChIKeyQNRLZPNYDONVOC-STAPSFGWSA-N
MW283.37 g/mol
LogP3.54
Rot. Bonds6

About (2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide

(2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide (PubChem CID 59753338) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide
PubChem CID59753338
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide
SMILESC/C=C/C=C/C=C/C=C/C=C/C(=O)NC1=C(C)CCC1=O
InChIInChI=1S/C18H21NO2/c1-3-4-5-6-7-8-9-10-11-12-17(21)19-18-15(2)13-14-16(18)20/h3-12H,13-14H2,1-2H3,(H,19,21)/b4-3+,6-5+,8-7+,10-9+,12-11+
InChIKeyQNRLZPNYDONVOC-STAPSFGWSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide?
The IUPAC name of (2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide (CID 59753338) is (2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide.
What is the SMILES notation for (2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide?
The canonical SMILES for (2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide is C/C=C/C=C/C=C/C=C/C=C/C(=O)NC1=C(C)CCC1=O.
What is the InChIKey of (2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide?
The InChIKey is QNRLZPNYDONVOC-STAPSFGWSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-4-5-6-7-8-9-10-11-12-17(21)19-18-15(2)13-14-16(18)20/h3-12H,13-14H2,1-2H3,(H,19,21)/b4-3+,6-5+,8-7+,10-9+,12-11+.
What are the key properties of (2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide?
(2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide has a molecular weight of 283.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E)-N-(2-methyl-5-oxocyclopenten-1-yl)dodeca-2,4,6,8,10-pentaenamide is sourced from PubChem (CID 59753338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).