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

C14H23NO2 — CID 141343520

IUPAC2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide
SMILESCCCCC=CC=C(CC1(C)COC1)C(N)=O
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-8-12(13(15)16)9-14(2)10-17-11-14/h6-8H,3-5,9-11H2,1-2H3,(H2,15,16)
InChIKeyHTWUENATQCSHPU-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.57
Rot. Bonds7

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

2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide (PubChem CID 141343520) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide.

Molecular Properties

Compound Name2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide
PubChem CID141343520
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide
SMILESCCCCC=CC=C(CC1(C)COC1)C(N)=O
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-8-12(13(15)16)9-14(2)10-17-11-14/h6-8H,3-5,9-11H2,1-2H3,(H2,15,16)
InChIKeyHTWUENATQCSHPU-UHFFFAOYSA-N
XLogP2.57
TPSA52.32 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 ≤ 52.57
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

2-(2-methylpropyl)icosa-2,4-dienamide
CID 170984165
2-methyldodeca-2,4-dienamide
CID 168877598
(2E,4E)-2-methylpentadeca-2,4-dienamide
CID 169003282
(2E,4E)-2-methylheptacosa-2,4-dienamide
CID 169003266
2-methylpentadeca-2,4-dienamide
CID 168877600
2-methyltrideca-2,4-dienamide
CID 154353968
N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide
CID 123969061
2-(2-methylpropyl)icosa-2,4,6-trienamide
CID 170984163
1,1-difluoroocta-1,3-diene
CID 150749668
(2E,4E,6E,8E,10E,12E)-2-methyltricosa-2,4,6,8,10,12-hexaenamide
CID 169003273
2-propyldeca-2,4-dienoic acid
CID 54309324
1,1-dichloroocta-1,3-diene;palladium
CID 87090262

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide?
The IUPAC name of 2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide (CID 141343520) is 2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide.
What is the SMILES notation for 2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide?
The canonical SMILES for 2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide is CCCCC=CC=C(CC1(C)COC1)C(N)=O.
What is the InChIKey of 2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide?
The InChIKey is HTWUENATQCSHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-5-6-7-8-12(13(15)16)9-14(2)10-17-11-14/h6-8H,3-5,9-11H2,1-2H3,(H2,15,16).
What are the key properties of 2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide?
2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide has a molecular weight of 237.34 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyloxetan-3-yl)methyl]nona-2,4-dienamide is sourced from PubChem (CID 141343520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).