(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide

C14H21NO2 — CID 88991031

IUPAC(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide
SMILESC=CCC/C=C/C=C/C(=O)NCC1CCCO1
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-6-7-10-14(16)15-12-13-9-8-11-17-13/h2,5-7,10,13H,1,3-4,8-9,11-12H2,(H,15,16)/b6-5+,10-7+
InChIKeyOLRLXUKGOHCOGU-WEYXYWBQSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds7

About (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide

(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide (PubChem CID 88991031) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide
PubChem CID88991031
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide
SMILESC=CCC/C=C/C=C/C(=O)NCC1CCCO1
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-6-7-10-14(16)15-12-13-9-8-11-17-13/h2,5-7,10,13H,1,3-4,8-9,11-12H2,(H,15,16)/b6-5+,10-7+
InChIKeyOLRLXUKGOHCOGU-WEYXYWBQSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide?
The IUPAC name of (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide (CID 88991031) is (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide.
What is the SMILES notation for (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide?
The canonical SMILES for (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide is C=CCC/C=C/C=C/C(=O)NCC1CCCO1.
What is the InChIKey of (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide?
The InChIKey is OLRLXUKGOHCOGU-WEYXYWBQSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-3-4-5-6-7-10-14(16)15-12-13-9-8-11-17-13/h2,5-7,10,13H,1,3-4,8-9,11-12H2,(H,15,16)/b6-5+,10-7+.
What are the key properties of (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide?
(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide has a molecular weight of 235.33 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4,8-trienamide is sourced from PubChem (CID 88991031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).