(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide

C15H23NO2 — CID 21242302

IUPAC(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide
SMILESC=C(C)C(=O)CC/C(C)=C/CC/C(C)=C/C(N)=O
InChIInChI=1S/C15H23NO2/c1-11(2)14(17)9-8-12(3)6-5-7-13(4)10-15(16)18/h6,10H,1,5,7-9H2,2-4H3,(H2,16,18)/b12-6+,13-10+
InChIKeySYDULKVXWKMFDU-WAAHFECUSA-N
MW249.35 g/mol
LogP3.07
Rot. Bonds8

About (2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide

(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide (PubChem CID 21242302) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide.

Molecular Properties

Compound Name(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide
PubChem CID21242302
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide
SMILESC=C(C)C(=O)CC/C(C)=C/CC/C(C)=C/C(N)=O
InChIInChI=1S/C15H23NO2/c1-11(2)14(17)9-8-12(3)6-5-7-13(4)10-15(16)18/h6,10H,1,5,7-9H2,2-4H3,(H2,16,18)/b12-6+,13-10+
InChIKeySYDULKVXWKMFDU-WAAHFECUSA-N
XLogP3.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide?
The IUPAC name of (2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide (CID 21242302) is (2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide.
What is the SMILES notation for (2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide?
The canonical SMILES for (2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide is C=C(C)C(=O)CC/C(C)=C/CC/C(C)=C/C(N)=O.
What is the InChIKey of (2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide?
The InChIKey is SYDULKVXWKMFDU-WAAHFECUSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)14(17)9-8-12(3)6-5-7-13(4)10-15(16)18/h6,10H,1,5,7-9H2,2-4H3,(H2,16,18)/b12-6+,13-10+.
What are the key properties of (2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide?
(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide has a molecular weight of 249.35 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6,11-trienamide is sourced from PubChem (CID 21242302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).