3-[(E)-hept-1-enyl]-2-phenylpyridine

C18H21N — CID 23657471

IUPAC3-[(E)-hept-1-enyl]-2-phenylpyridine
SMILESCCCCC/C=C/c1cccnc1-c1ccccc1
InChIInChI=1S/C18H21N/c1-2-3-4-5-7-11-17-14-10-15-19-18(17)16-12-8-6-9-13-16/h6-15H,2-5H2,1H3/b11-7+
InChIKeyDQNGUXXMUWMKIV-YRNVUSSQSA-N
MW251.37 g/mol
LogP5.34
Rot. Bonds6

About 3-[(E)-hept-1-enyl]-2-phenylpyridine

3-[(E)-hept-1-enyl]-2-phenylpyridine (PubChem CID 23657471) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(E)-hept-1-enyl]-2-phenylpyridine.

Molecular Properties

Compound Name3-[(E)-hept-1-enyl]-2-phenylpyridine
PubChem CID23657471
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-[(E)-hept-1-enyl]-2-phenylpyridine
SMILESCCCCC/C=C/c1cccnc1-c1ccccc1
InChIInChI=1S/C18H21N/c1-2-3-4-5-7-11-17-14-10-15-19-18(17)16-12-8-6-9-13-16/h6-15H,2-5H2,1H3/b11-7+
InChIKeyDQNGUXXMUWMKIV-YRNVUSSQSA-N
XLogP5.34
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 ≤ 55.34
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)-dodec-1-enyl]pyridine
CID 166438666
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
ethane;3-methyl-2-phenylpyridine;pentane
CID 155691053
1-bromo-2-oct-1-enylbenzene
CID 54357749
CID 173281821
CID 173281821
2-hept-1-enylbenzoic acid
CID 70379014
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
1-[(E)-tetradec-1-enyl]naphthalene
CID 101307495
4-[(E)-oct-1-enyl]-3-pyridin-3-yl-1,2-oxazole
CID 67284490
7-[(Z)-dodec-1-enyl]quinolin-8-ol
CID 70466776
7-[(E)-oct-1-enyl]quinolin-8-ol
CID 13177336

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hept-1-enyl]-2-phenylpyridine?
The IUPAC name of 3-[(E)-hept-1-enyl]-2-phenylpyridine (CID 23657471) is 3-[(E)-hept-1-enyl]-2-phenylpyridine.
What is the SMILES notation for 3-[(E)-hept-1-enyl]-2-phenylpyridine?
The canonical SMILES for 3-[(E)-hept-1-enyl]-2-phenylpyridine is CCCCC/C=C/c1cccnc1-c1ccccc1.
What is the InChIKey of 3-[(E)-hept-1-enyl]-2-phenylpyridine?
The InChIKey is DQNGUXXMUWMKIV-YRNVUSSQSA-N. The full InChI is InChI=1S/C18H21N/c1-2-3-4-5-7-11-17-14-10-15-19-18(17)16-12-8-6-9-13-16/h6-15H,2-5H2,1H3/b11-7+.
What are the key properties of 3-[(E)-hept-1-enyl]-2-phenylpyridine?
3-[(E)-hept-1-enyl]-2-phenylpyridine has a molecular weight of 251.37 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hept-1-enyl]-2-phenylpyridine is sourced from PubChem (CID 23657471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).