2-[(E)-5-phenylpent-1-enyl]pyridine

C16H17N — CID 132566221

IUPAC2-[(E)-5-phenylpent-1-enyl]pyridine
SMILESC(=C/c1ccccn1)\CCCc1ccccc1
InChIInChI=1S/C16H17N/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-17-16/h1,3-4,6-10,12-14H,2,5,11H2/b12-6+
InChIKeyMUKQLQAVNWXVNV-WUXMJOGZSA-N
MW223.32 g/mol
LogP4.12
Rot. Bonds5

About 2-[(E)-5-phenylpent-1-enyl]pyridine

2-[(E)-5-phenylpent-1-enyl]pyridine (PubChem CID 132566221) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(E)-5-phenylpent-1-enyl]pyridine.

Molecular Properties

Compound Name2-[(E)-5-phenylpent-1-enyl]pyridine
PubChem CID132566221
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-[(E)-5-phenylpent-1-enyl]pyridine
SMILESC(=C/c1ccccn1)\CCCc1ccccc1
InChIInChI=1S/C16H17N/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-17-16/h1,3-4,6-10,12-14H,2,5,11H2/b12-6+
InChIKeyMUKQLQAVNWXVNV-WUXMJOGZSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-4-phenylbut-1-enyl]pyridine
CID 68904767
2-(4-phenylbut-1-enyl)pyridine
CID 68904769
(E)-6-pyridin-2-ylhex-5-enal
CID 10464818
2-[(E)-dodec-1-enyl]pyridine
CID 166438666
2-[(Z)-pent-1-enyl]pyridine
CID 45079869
(E)-6-phenylhex-2-enal
CID 5368478
[(E)-5-bromopent-4-enyl]benzene
CID 15076450
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
2-penta-1,4-dienylpyridine
CID 66927735
N-methyl-7-phenylhept-3-en-1-amine
CID 79592715
2-[3-(5-phenylpent-1-enyl)phenyl]ethanol
CID 54163257

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-phenylpent-1-enyl]pyridine?
The IUPAC name of 2-[(E)-5-phenylpent-1-enyl]pyridine (CID 132566221) is 2-[(E)-5-phenylpent-1-enyl]pyridine.
What is the SMILES notation for 2-[(E)-5-phenylpent-1-enyl]pyridine?
The canonical SMILES for 2-[(E)-5-phenylpent-1-enyl]pyridine is C(=C/c1ccccn1)\CCCc1ccccc1.
What is the InChIKey of 2-[(E)-5-phenylpent-1-enyl]pyridine?
The InChIKey is MUKQLQAVNWXVNV-WUXMJOGZSA-N. The full InChI is InChI=1S/C16H17N/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-17-16/h1,3-4,6-10,12-14H,2,5,11H2/b12-6+.
What are the key properties of 2-[(E)-5-phenylpent-1-enyl]pyridine?
2-[(E)-5-phenylpent-1-enyl]pyridine has a molecular weight of 223.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-phenylpent-1-enyl]pyridine is sourced from PubChem (CID 132566221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).