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

C15H25NO2 — CID 88991126

IUPAC(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C(C)=C/C(=O)NCC1CCCO1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-8-13(2)11-15(17)16-12-14-9-7-10-18-14/h6,8,11,14H,3-5,7,9-10,12H2,1-2H3,(H,16,17)/b8-6+,13-11+
InChIKeyXUQSHVKPPWVLSW-VAFZVJGJSA-N
MW251.37 g/mol
LogP2.97
Rot. Bonds7

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

(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide (PubChem CID 88991126) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide
PubChem CID88991126
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C(C)=C/C(=O)NCC1CCCO1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-8-13(2)11-15(17)16-12-14-9-7-10-18-14/h6,8,11,14H,3-5,7,9-10,12H2,1-2H3,(H,16,17)/b8-6+,13-11+
InChIKeyXUQSHVKPPWVLSW-VAFZVJGJSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.97
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)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide?
The IUPAC name of (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide (CID 88991126) is (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide.
What is the SMILES notation for (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide?
The canonical SMILES for (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide is CCCC/C=C/C(C)=C/C(=O)NCC1CCCO1.
What is the InChIKey of (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide?
The InChIKey is XUQSHVKPPWVLSW-VAFZVJGJSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-5-6-8-13(2)11-15(17)16-12-14-9-7-10-18-14/h6,8,11,14H,3-5,7,9-10,12H2,1-2H3,(H,16,17)/b8-6+,13-11+.
What are the key properties of (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide?
(2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide has a molecular weight of 251.37 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-methyl-N-(oxolan-2-ylmethyl)nona-2,4-dienamide is sourced from PubChem (CID 88991126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).