(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid

C21H25NO2 — CID 13417263

IUPAC(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
SMILESO=C(O)CCCCCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C21H25NO2/c23-21(24)15-9-4-2-1-3-8-14-20(18-11-6-5-7-12-18)19-13-10-16-22-17-19/h5-7,10-14,16-17H,1-4,8-9,15H2,(H,23,24)/b20-14+
InChIKeyJUQQBSODJNVOJH-XSFVSMFZSA-N
MW323.44 g/mol
LogP5.33
Rot. Bonds10

About (E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid

(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid (PubChem CID 13417263) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid.

Molecular Properties

Compound Name(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
PubChem CID13417263
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid
SMILESO=C(O)CCCCCCC/C=C(\c1ccccc1)c1cccnc1
InChIInChI=1S/C21H25NO2/c23-21(24)15-9-4-2-1-3-8-14-20(18-11-6-5-7-12-18)19-13-10-16-22-17-19/h5-7,10-14,16-17H,1-4,8-9,15H2,(H,23,24)/b20-14+
InChIKeyJUQQBSODJNVOJH-XSFVSMFZSA-N
XLogP5.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide
CID 13417329
(E)-7-(2-bromophenyl)-7-pyridin-3-ylhept-6-enoic acid
CID 13417273
(E)-7-pyridin-3-yl-7-thiophen-2-ylhept-6-enoic acid
CID 13285833
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
8-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-7-enoic acid
CID 57268349
(Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid
CID 10320222
(Z)-2,2-dimethyl-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 13417291
(7-phenyl-7-pyridin-3-ylhept-6-enyl) N-phenylcarbamate
CID 54017112
6-[4-(naphthalene-1-carbonylamino)phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54065609
(Z)-6-[4-[(2-phenylbenzoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 19099626
(Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 19099582

Frequently Asked Questions

What is the IUPAC name of (E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid?
The IUPAC name of (E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid (CID 13417263) is (E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid.
What is the SMILES notation for (E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid?
The canonical SMILES for (E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid is O=C(O)CCCCCCC/C=C(\c1ccccc1)c1cccnc1.
What is the InChIKey of (E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid?
The InChIKey is JUQQBSODJNVOJH-XSFVSMFZSA-N. The full InChI is InChI=1S/C21H25NO2/c23-21(24)15-9-4-2-1-3-8-14-20(18-11-6-5-7-12-18)19-13-10-16-22-17-19/h5-7,10-14,16-17H,1-4,8-9,15H2,(H,23,24)/b20-14+.
What are the key properties of (E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid?
(E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid has a molecular weight of 323.44 g/mol, XLogP of 5.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-phenyl-10-pyridin-3-yldec-9-enoic acid is sourced from PubChem (CID 13417263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).