2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine

C18H21N — CID 145230941

IUPAC2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine
SMILESCCC/C=C(/C)c1ncc(-c2ccccc2)cc1C
InChIInChI=1S/C18H21N/c1-4-5-9-14(2)18-15(3)12-17(13-19-18)16-10-7-6-8-11-16/h6-13H,4-5H2,1-3H3/b14-9-
InChIKeyBHUPSBUPZQMIPQ-ZROIWOOFSA-N
MW251.37 g/mol
LogP5.26
Rot. Bonds4

About 2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine

2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine (PubChem CID 145230941) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine.

Molecular Properties

Compound Name2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine
PubChem CID145230941
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine
SMILESCCC/C=C(/C)c1ncc(-c2ccccc2)cc1C
InChIInChI=1S/C18H21N/c1-4-5-9-14(2)18-15(3)12-17(13-19-18)16-10-7-6-8-11-16/h6-13H,4-5H2,1-3H3/b14-9-
InChIKeyBHUPSBUPZQMIPQ-ZROIWOOFSA-N
XLogP5.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine?
The IUPAC name of 2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine (CID 145230941) is 2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine.
What is the SMILES notation for 2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine?
The canonical SMILES for 2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine is CCC/C=C(/C)c1ncc(-c2ccccc2)cc1C.
What is the InChIKey of 2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine?
The InChIKey is BHUPSBUPZQMIPQ-ZROIWOOFSA-N. The full InChI is InChI=1S/C18H21N/c1-4-5-9-14(2)18-15(3)12-17(13-19-18)16-10-7-6-8-11-16/h6-13H,4-5H2,1-3H3/b14-9-.
What are the key properties of 2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine?
2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine has a molecular weight of 251.37 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hex-2-en-2-yl]-3-methyl-5-phenylpyridine is sourced from PubChem (CID 145230941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).