(2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide

C14H23NO2 — CID 88990984

IUPAC(2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide
SMILESCC(C)C/C=C/C=C/C(=O)NCC1CCOC1
InChIInChI=1S/C14H23NO2/c1-12(2)6-4-3-5-7-14(16)15-10-13-8-9-17-11-13/h3-5,7,12-13H,6,8-11H2,1-2H3,(H,15,16)/b4-3+,7-5+
InChIKeyGZLVGTSGUNZGAU-BDWKERMESA-N
MW237.34 g/mol
LogP2.30
Rot. Bonds6

About (2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide

(2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide (PubChem CID 88990984) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide
PubChem CID88990984
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide
SMILESCC(C)C/C=C/C=C/C(=O)NCC1CCOC1
InChIInChI=1S/C14H23NO2/c1-12(2)6-4-3-5-7-14(16)15-10-13-8-9-17-11-13/h3-5,7,12-13H,6,8-11H2,1-2H3,(H,15,16)/b4-3+,7-5+
InChIKeyGZLVGTSGUNZGAU-BDWKERMESA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.30
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)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide?
The IUPAC name of (2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide (CID 88990984) is (2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide?
The canonical SMILES for (2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide is CC(C)C/C=C/C=C/C(=O)NCC1CCOC1.
What is the InChIKey of (2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide?
The InChIKey is GZLVGTSGUNZGAU-BDWKERMESA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(2)6-4-3-5-7-14(16)15-10-13-8-9-17-11-13/h3-5,7,12-13H,6,8-11H2,1-2H3,(H,15,16)/b4-3+,7-5+.
What are the key properties of (2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide?
(2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide has a molecular weight of 237.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-methyl-N-(oxolan-3-ylmethyl)octa-2,4-dienamide is sourced from PubChem (CID 88990984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).