pyridin-3-ylmethyl dec-9-enoate

C16H23NO2 — CID 91700049

IUPACpyridin-3-ylmethyl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OCc1cccnc1
InChIInChI=1S/C16H23NO2/c1-2-3-4-5-6-7-8-11-16(18)19-14-15-10-9-12-17-13-15/h2,9-10,12-13H,1,3-8,11,14H2
InChIKeyMVGGDGNWWSKKBD-UHFFFAOYSA-N
MW261.36 g/mol
LogP4.04
Rot. Bonds10

About pyridin-3-ylmethyl dec-9-enoate

pyridin-3-ylmethyl dec-9-enoate (PubChem CID 91700049) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is pyridin-3-ylmethyl dec-9-enoate.

Molecular Properties

Compound Namepyridin-3-ylmethyl dec-9-enoate
PubChem CID91700049
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Namepyridin-3-ylmethyl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OCc1cccnc1
InChIInChI=1S/C16H23NO2/c1-2-3-4-5-6-7-8-11-16(18)19-14-15-10-9-12-17-13-15/h2,9-10,12-13H,1,3-8,11,14H2
InChIKeyMVGGDGNWWSKKBD-UHFFFAOYSA-N
XLogP4.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

pyridin-3-ylmethyl (Z)-tetradec-9-enoate
CID 91700112
pyridin-3-ylmethyl (Z)-nonadec-8-enoate
CID 91700351
pyridin-3-ylmethyl (Z)-nonadec-11-enoate
CID 91700109
pyridin-3-ylmethyl 18-fluorooctadecanoate
CID 91704219
pyridin-3-ylmethyl hexatetracontanoate
CID 102180878
pyridin-3-ylmethyl octadeca-10,11-dienoate
CID 91700268
pyridin-3-ylmethyl octadeca-6,7-dienoate
CID 91700360
pyridin-3-ylmethyl 24-methylpentacosanoate
CID 91704198
pyridin-3-ylmethyl 5-hexylsulfanylpentanoate
CID 91724056
pyridin-3-ylmethyl 9-methyltetradecanoate
CID 91700055
pyridin-3-ylmethyl 8-(2-hexylcyclopropyl)octanoate
CID 91700108
pyridin-3-ylmethyl (3Z,9Z,12Z)-octadeca-3,9,12-trienoate
CID 91700064

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl dec-9-enoate?
The IUPAC name of pyridin-3-ylmethyl dec-9-enoate (CID 91700049) is pyridin-3-ylmethyl dec-9-enoate.
What is the SMILES notation for pyridin-3-ylmethyl dec-9-enoate?
The canonical SMILES for pyridin-3-ylmethyl dec-9-enoate is C=CCCCCCCCC(=O)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl dec-9-enoate?
The InChIKey is MVGGDGNWWSKKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-4-5-6-7-8-11-16(18)19-14-15-10-9-12-17-13-15/h2,9-10,12-13H,1,3-8,11,14H2.
What are the key properties of pyridin-3-ylmethyl dec-9-enoate?
pyridin-3-ylmethyl dec-9-enoate has a molecular weight of 261.36 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl dec-9-enoate is sourced from PubChem (CID 91700049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).