2-(1-phenylhept-1-enyl)pyridine

C18H21N — CID 71123883

IUPAC2-(1-phenylhept-1-enyl)pyridine
SMILESCCCCCC=C(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H21N/c1-2-3-4-8-13-17(16-11-6-5-7-12-16)18-14-9-10-15-19-18/h5-7,9-15H,2-4,8H2,1H3
InChIKeyFRKCORSTFCVPSU-UHFFFAOYSA-N
MW251.37 g/mol
LogP5.09
Rot. Bonds6

About 2-(1-phenylhept-1-enyl)pyridine

2-(1-phenylhept-1-enyl)pyridine (PubChem CID 71123883) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(1-phenylhept-1-enyl)pyridine.

Molecular Properties

Compound Name2-(1-phenylhept-1-enyl)pyridine
PubChem CID71123883
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-(1-phenylhept-1-enyl)pyridine
SMILESCCCCCC=C(c1ccccc1)c1ccccn1
InChIInChI=1S/C18H21N/c1-2-3-4-8-13-17(16-11-6-5-7-12-16)18-14-9-10-15-19-18/h5-7,9-15H,2-4,8H2,1H3
InChIKeyFRKCORSTFCVPSU-UHFFFAOYSA-N
XLogP5.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.09
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-[(Z)-1-(4-chlorophenyl)pent-1-enyl]pyridine
CID 121005200
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
2-(1-phenylhex-1-enyl)-1,3-thiazole
CID 71123881
2-[2-[2,5-dimethyl-4-(2-phenyl-2-pyridin-2-ylethenyl)phenyl]-1-phenylethenyl]pyridine
CID 54097207
1-pyridin-2-ylhexan-1-one
CID 556347
2-phenylundec-2-ene-1-thiol
CID 175069404
2-hept-1-en-2-ylpyridine
CID 67857415
2-methylidene-3-phenylpentadec-3-enoic acid
CID 173433736
N-decylidenebenzamide
CID 90984528
2-fluoro-1-phenyloct-2-en-1-one
CID 71437932
[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylhept-1-enyl)pyridine?
The IUPAC name of 2-(1-phenylhept-1-enyl)pyridine (CID 71123883) is 2-(1-phenylhept-1-enyl)pyridine.
What is the SMILES notation for 2-(1-phenylhept-1-enyl)pyridine?
The canonical SMILES for 2-(1-phenylhept-1-enyl)pyridine is CCCCCC=C(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(1-phenylhept-1-enyl)pyridine?
The InChIKey is FRKCORSTFCVPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-3-4-8-13-17(16-11-6-5-7-12-16)18-14-9-10-15-19-18/h5-7,9-15H,2-4,8H2,1H3.
What are the key properties of 2-(1-phenylhept-1-enyl)pyridine?
2-(1-phenylhept-1-enyl)pyridine has a molecular weight of 251.37 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylhept-1-enyl)pyridine is sourced from PubChem (CID 71123883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).