N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide

C15H25NO2 — CID 123969061

IUPACN-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide
SMILESCCCCC=CC=CC(=O)NCC1(C)CCOC1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-8-9-14(17)16-12-15(2)10-11-18-13-15/h6-9H,3-5,10-13H2,1-2H3,(H,16,17)
InChIKeyVHCOXBWGIGBNCN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.83
Rot. Bonds7

About N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide

N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide (PubChem CID 123969061) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide.

Molecular Properties

Compound NameN-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide
PubChem CID123969061
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide
SMILESCCCCC=CC=CC(=O)NCC1(C)CCOC1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-8-9-14(17)16-12-15(2)10-11-18-13-15/h6-9H,3-5,10-13H2,1-2H3,(H,16,17)
InChIKeyVHCOXBWGIGBNCN-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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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Related Compounds

(E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide
CID 103742481
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
N-(oxolan-3-ylmethyl)deca-2,4-dienamide
CID 123263436
(2E,4E)-N-(oxolan-3-ylmethyl)deca-2,4-dienamide
CID 88991000
N-(2-hydroxy-2-methylpropyl)nonadeca-2,4,8,10,12,14-hexaenamide
CID 172859631
2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide
CID 130915014
(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide
CID 21158622
(2E,4Z)-N-methyldeca-2,4-dienamide
CID 87311130
methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
4-[(3-methyloxolan-3-yl)methylcarbamoylamino]butanoic acid
CID 122002022
2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide
CID 141343520

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide?
The IUPAC name of N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide (CID 123969061) is N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide.
What is the SMILES notation for N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide?
The canonical SMILES for N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide is CCCCC=CC=CC(=O)NCC1(C)CCOC1.
What is the InChIKey of N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide?
The InChIKey is VHCOXBWGIGBNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-5-6-7-8-9-14(17)16-12-15(2)10-11-18-13-15/h6-9H,3-5,10-13H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide?
N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide has a molecular weight of 251.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide is sourced from PubChem (CID 123969061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).