5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine

C17H19NO — CID 129451859

IUPAC5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine
SMILESCC(C)COc1ccc(/C=C/c2ccccc2)nc1
InChIInChI=1S/C17H19NO/c1-14(2)13-19-17-11-10-16(18-12-17)9-8-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3/b9-8+
InChIKeyPSSBOLGVSPSLQD-CMDGGOBGSA-N
MW253.35 g/mol
LogP4.29
Rot. Bonds5

About 5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine

5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine (PubChem CID 129451859) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine.

Molecular Properties

Compound Name5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine
PubChem CID129451859
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine
SMILESCC(C)COc1ccc(/C=C/c2ccccc2)nc1
InChIInChI=1S/C17H19NO/c1-14(2)13-19-17-11-10-16(18-12-17)9-8-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3/b9-8+
InChIKeyPSSBOLGVSPSLQD-CMDGGOBGSA-N
XLogP4.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid
CID 129450942
(2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid
CID 129452128
[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79787202
1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene
CID 118960625
3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine
CID 169464663
1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 169476628
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79775957
1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene
CID 168849749
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
5-[(E)-2-phenylethenyl]-2-propan-2-ylpyridine
CID 130219351
2-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
CID 79799793
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
CID 83127836

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine?
The IUPAC name of 5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine (CID 129451859) is 5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine.
What is the SMILES notation for 5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine?
The canonical SMILES for 5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine is CC(C)COc1ccc(/C=C/c2ccccc2)nc1.
What is the InChIKey of 5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine?
The InChIKey is PSSBOLGVSPSLQD-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(2)13-19-17-11-10-16(18-12-17)9-8-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3/b9-8+.
What are the key properties of 5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine?
5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine has a molecular weight of 253.35 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine is sourced from PubChem (CID 129451859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).