(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide

C14H23NO2 — CID 88990996

IUPAC(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C=C/C(=O)NCC1CCCO1
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-6-7-10-14(16)15-12-13-9-8-11-17-13/h5-7,10,13H,2-4,8-9,11-12H2,1H3,(H,15,16)/b6-5+,10-7+
InChIKeyXJIBRMKHDDOAHD-WEYXYWBQSA-N
MW237.34 g/mol
LogP2.58
Rot. Bonds7

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

(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide (PubChem CID 88990996) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide
PubChem CID88990996
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C=C/C(=O)NCC1CCCO1
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-6-7-10-14(16)15-12-13-9-8-11-17-13/h5-7,10,13H,2-4,8-9,11-12H2,1H3,(H,15,16)/b6-5+,10-7+
InChIKeyXJIBRMKHDDOAHD-WEYXYWBQSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide (CID 88990996) is (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide is CCCC/C=C/C=C/C(=O)NCC1CCCO1.
What is the InChIKey of (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide?
The InChIKey is XJIBRMKHDDOAHD-WEYXYWBQSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-10-14(16)15-12-13-9-8-11-17-13/h5-7,10,13H,2-4,8-9,11-12H2,1H3,(H,15,16)/b6-5+,10-7+.
What are the key properties of (2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide?
(2E,4E)-N-(oxolan-2-ylmethyl)nona-2,4-dienamide has a molecular weight of 237.34 g/mol, XLogP of 2.58, 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-dienamide is sourced from PubChem (CID 88990996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).