4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine

C18H21N — CID 143812706

IUPAC4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine
SMILESCC/C=C\c1cccc(CCCc2ccncc2)c1
InChIInChI=1S/C18H21N/c1-2-3-6-17-9-5-10-18(15-17)8-4-7-16-11-13-19-14-12-16/h3,5-6,9-15H,2,4,7-8H2,1H3/b6-3-
InChIKeyCTCATPICVKCSJD-UTCJRWHESA-N
MW251.37 g/mol
LogP4.68
Rot. Bonds6

About 4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine

4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine (PubChem CID 143812706) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine.

Molecular Properties

Compound Name4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine
PubChem CID143812706
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine
SMILESCC/C=C\c1cccc(CCCc2ccncc2)c1
InChIInChI=1S/C18H21N/c1-2-3-6-17-9-5-10-18(15-17)8-4-7-16-11-13-19-14-12-16/h3,5-6,9-15H,2,4,7-8H2,1H3/b6-3-
InChIKeyCTCATPICVKCSJD-UTCJRWHESA-N
XLogP4.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(3-chlorophenyl)propyl]pyridine
CID 19783328
1-[(Z)-prop-1-enyl]-3-propylbenzene
CID 144823919
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-hex-3-enylpyridine
CID 139722961
2-[3-(5-phenylpent-1-enyl)phenyl]ethanol
CID 54163257
1-bromo-3-[(E)-but-1-enyl]benzene
CID 22159609
CID 24746170
CID 24746170
1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
CID 143443436
4-(8-pyridin-4-yloct-4-enyl)pyridine
CID 67224624
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
benzene;but-1-enylbenzene
CID 157481332
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine?
The IUPAC name of 4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine (CID 143812706) is 4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine.
What is the SMILES notation for 4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine?
The canonical SMILES for 4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine is CC/C=C\c1cccc(CCCc2ccncc2)c1.
What is the InChIKey of 4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine?
The InChIKey is CTCATPICVKCSJD-UTCJRWHESA-N. The full InChI is InChI=1S/C18H21N/c1-2-3-6-17-9-5-10-18(15-17)8-4-7-16-11-13-19-14-12-16/h3,5-6,9-15H,2,4,7-8H2,1H3/b6-3-.
What are the key properties of 4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine?
4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine has a molecular weight of 251.37 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[(Z)-but-1-enyl]phenyl]propyl]pyridine is sourced from PubChem (CID 143812706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).